smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000426908545 1073306182 /nfs/dbraw/zinc/30/61/82/1073306182.db2.gz GEHBTZGNUNRQFF-KRWDZBQOSA-N 1 3 433.557 0.147 20 0 IBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000426908616 1073306269 /nfs/dbraw/zinc/30/62/69/1073306269.db2.gz GEHBTZGNUNRQFF-QGZVFWFLSA-N 1 3 433.557 0.147 20 0 IBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000426925899 1073335638 /nfs/dbraw/zinc/33/56/38/1073335638.db2.gz MVPBWDRNMMXQEY-UHFFFAOYSA-N 1 3 433.557 0.101 20 0 IBADHO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)n2)CC1 ZINC000426931038 1072184949 /nfs/dbraw/zinc/18/49/49/1072184949.db2.gz HRLFKUCRGAVUEY-UHFFFAOYSA-N 1 3 431.541 -0.145 20 0 IBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427567710 1072285351 /nfs/dbraw/zinc/28/53/51/1072285351.db2.gz ZEBOYIMTMNLGLO-KRWDZBQOSA-N 1 3 431.541 -0.147 20 0 IBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427567711 1073311886 /nfs/dbraw/zinc/31/18/86/1073311886.db2.gz ZEBOYIMTMNLGLO-QGZVFWFLSA-N 1 3 431.541 -0.147 20 0 IBADHO CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)cc2)CC1 ZINC000431275539 1071052196 /nfs/dbraw/zinc/05/21/96/1071052196.db2.gz RMHYQUCICVDENI-FQEVSTJZSA-N 1 3 444.580 -0.306 20 0 IBADHO CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)cc2)CC1 ZINC000431275539 1071052190 /nfs/dbraw/zinc/05/21/90/1071052190.db2.gz RMHYQUCICVDENI-FQEVSTJZSA-N 1 3 444.580 -0.306 20 0 IBADHO CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)cc2)CC1 ZINC000431275540 1071052151 /nfs/dbraw/zinc/05/21/51/1071052151.db2.gz RMHYQUCICVDENI-HXUWFJFHSA-N 1 3 444.580 -0.306 20 0 IBADHO CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)cc2)CC1 ZINC000431275540 1071052143 /nfs/dbraw/zinc/05/21/43/1071052143.db2.gz RMHYQUCICVDENI-HXUWFJFHSA-N 1 3 444.580 -0.306 20 0 IBADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000434589952 1071787981 /nfs/dbraw/zinc/78/79/81/1071787981.db2.gz ZUZTYTAFFWNNAD-UHFFFAOYSA-N 1 3 447.584 -0.006 20 0 IBADHO C[C@H](O)C[NH+]1CCC(CN(C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000436250305 1071478100 /nfs/dbraw/zinc/47/81/00/1071478100.db2.gz XQILCTSTWYYOIZ-IBGZPJMESA-N 1 3 439.601 -0.986 20 0 IBADHO C[C@@H](O)C[NH+]1CCC(CN(C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000436250306 1071478048 /nfs/dbraw/zinc/47/80/48/1071478048.db2.gz XQILCTSTWYYOIZ-LJQANCHMSA-N 1 3 439.601 -0.986 20 0 IBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000439212988 1072064629 /nfs/dbraw/zinc/06/46/29/1072064629.db2.gz QKEYYYCOWYGCOP-GOSISDBHSA-N 1 3 445.568 -0.169 20 0 IBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000439212988 1072064615 /nfs/dbraw/zinc/06/46/15/1072064615.db2.gz QKEYYYCOWYGCOP-GOSISDBHSA-N 1 3 445.568 -0.169 20 0 IBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000439212990 1072064701 /nfs/dbraw/zinc/06/47/01/1072064701.db2.gz QKEYYYCOWYGCOP-SFHVURJKSA-N 1 3 445.568 -0.169 20 0 IBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000439212990 1072064688 /nfs/dbraw/zinc/06/46/88/1072064688.db2.gz QKEYYYCOWYGCOP-SFHVURJKSA-N 1 3 445.568 -0.169 20 0 IBADHO COCCN(CC(=O)NC(N)=O)CC1(c2ccccc2)CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000442888732 1072456753 /nfs/dbraw/zinc/45/67/53/1072456753.db2.gz HKYHVHWWCLLGLC-UHFFFAOYSA-N 1 3 448.524 -0.642 20 0 IBADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC2)CC1 ZINC000444865317 1072662136 /nfs/dbraw/zinc/66/21/36/1072662136.db2.gz ZSKIPBOFRUXIKT-UHFFFAOYSA-N 1 3 433.557 0.422 20 0 IBADHO CN1CCN(Cc2ccc(CNC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)cc2)CC1 ZINC000448490371 1072817894 /nfs/dbraw/zinc/81/78/94/1072817894.db2.gz BDXXIUBPXUJSMK-UHFFFAOYSA-N 1 3 427.553 0.447 20 0 IBADHO Cn1c2ncn(CC(=O)NCC3(N4CCCCC4)CC[NH+](C)CC3)c2c(=O)n(C)c1=O ZINC000460510936 1073053487 /nfs/dbraw/zinc/05/34/87/1073053487.db2.gz SVRASJYXYMXYIK-UHFFFAOYSA-N 1 3 431.541 -0.500 20 0 IBADHO O=C(CN1CC[C@H](n2cccn2)C1)N1CCN(C(=O)C[N@H+]2CC[C@@H](n3cccn3)C2)CC1 ZINC000463456261 1072510803 /nfs/dbraw/zinc/51/08/03/1072510803.db2.gz ZKQLVWYJLMXQAY-BGYRXZFFSA-N 1 3 440.552 -0.056 20 0 IBADHO O=C(CN1CC[C@H](n2cccn2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](n3cccn3)C2)CC1 ZINC000463456261 1072510793 /nfs/dbraw/zinc/51/07/93/1072510793.db2.gz ZKQLVWYJLMXQAY-BGYRXZFFSA-N 1 3 440.552 -0.056 20 0 IBADHO O=C(CN1CC[C@@H](n2cccn2)C1)N1CCN(C(=O)C[N@H+]2CC[C@H](n3cccn3)C2)CC1 ZINC000463456261 1072510782 /nfs/dbraw/zinc/51/07/82/1072510782.db2.gz ZKQLVWYJLMXQAY-BGYRXZFFSA-N 1 3 440.552 -0.056 20 0 IBADHO O=C(CN1CC[C@@H](n2cccn2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@H](n3cccn3)C2)CC1 ZINC000463456261 1072510771 /nfs/dbraw/zinc/51/07/71/1072510771.db2.gz ZKQLVWYJLMXQAY-BGYRXZFFSA-N 1 3 440.552 -0.056 20 0 IBADHO CNc1nc(N2CCN(C3CCOCC3)CC2)nc(N2CC[NH+](C3CCOCC3)CC2)n1 ZINC000467782448 1074548331 /nfs/dbraw/zinc/54/83/31/1074548331.db2.gz ITZQAQYWTKOAAM-UHFFFAOYSA-N 1 3 446.600 -0.063 20 0 IBADHO CNc1nc(N2CCN(C[C@@H]3CCOC3)CC2)nc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000467785051 1074548280 /nfs/dbraw/zinc/54/82/80/1074548280.db2.gz CTHCVKLKGCBZBP-OALUTQOASA-N 1 3 446.600 -0.348 20 0 IBADHO CNc1nc(N2CCN(C[C@H]3CCOC3)CC2)nc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000467785052 1074548368 /nfs/dbraw/zinc/54/83/68/1074548368.db2.gz CTHCVKLKGCBZBP-RTBURBONSA-N 1 3 446.600 -0.348 20 0 IBADHO C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[C@H]1C(=O)NC[C@@](C)(O)CN(C)C ZINC000468420979 1074572313 /nfs/dbraw/zinc/57/23/13/1074572313.db2.gz RKBXYZZYLHCMOP-MRNRSFMZSA-N 1 3 428.574 -0.925 20 0 IBADHO C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@](C)(O)CN(C)C)[C@H]1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000468420979 1074572304 /nfs/dbraw/zinc/57/23/04/1074572304.db2.gz RKBXYZZYLHCMOP-MRNRSFMZSA-N 1 3 428.574 -0.925 20 0 IBADHO C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[C@@H]1C(=O)NC[C@](C)(O)CN(C)C ZINC000468420980 1074572247 /nfs/dbraw/zinc/57/22/47/1074572247.db2.gz RKBXYZZYLHCMOP-WVEMUNHJSA-N 1 3 428.574 -0.925 20 0 IBADHO C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@](C)(O)CN(C)C)[C@@H]1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000468420980 1074572240 /nfs/dbraw/zinc/57/22/40/1074572240.db2.gz RKBXYZZYLHCMOP-WVEMUNHJSA-N 1 3 428.574 -0.925 20 0 IBADHO C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[C@H]1C(=O)NC[C@](C)(O)CN(C)C ZINC000468420981 1074572283 /nfs/dbraw/zinc/57/22/83/1074572283.db2.gz RKBXYZZYLHCMOP-XMWJODTMSA-N 1 3 428.574 -0.925 20 0 IBADHO C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@](C)(O)CN(C)C)[C@H]1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000468420981 1074572277 /nfs/dbraw/zinc/57/22/77/1074572277.db2.gz RKBXYZZYLHCMOP-XMWJODTMSA-N 1 3 428.574 -0.925 20 0 IBADHO C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[C@@H]1C(=O)NC[C@@](C)(O)CN(C)C ZINC000468420982 1074572143 /nfs/dbraw/zinc/57/21/43/1074572143.db2.gz RKBXYZZYLHCMOP-ZFCUWQNASA-N 1 3 428.574 -0.925 20 0 IBADHO C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@](C)(O)CN(C)C)[C@@H]1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000468420982 1074572139 /nfs/dbraw/zinc/57/21/39/1074572139.db2.gz RKBXYZZYLHCMOP-ZFCUWQNASA-N 1 3 428.574 -0.925 20 0 IBADHO C[C@H](CO)N1CCCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CCC[N@H+]([C@H](C)CO)CC3)O2)CC1 ZINC000470092837 1074641586 /nfs/dbraw/zinc/64/15/86/1074641586.db2.gz MKUPDNXKOQYHGE-ZRNYENFQSA-N 1 3 440.585 -0.636 20 0 IBADHO C[C@H](CO)N1CCCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CCC[N@@H+]([C@H](C)CO)CC3)O2)CC1 ZINC000470092837 1074641583 /nfs/dbraw/zinc/64/15/83/1074641583.db2.gz MKUPDNXKOQYHGE-ZRNYENFQSA-N 1 3 440.585 -0.636 20 0 IBADHO Cn1c2ncn(CCN3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)c2c(=O)n(C)c1=O ZINC000471229021 1070836472 /nfs/dbraw/zinc/83/64/72/1070836472.db2.gz ZBBOCLZZEYGDFM-UHFFFAOYSA-N 1 3 447.584 -0.150 20 0 IBADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000477479851 1073101540 /nfs/dbraw/zinc/10/15/40/1073101540.db2.gz VELREBSBUCQBBS-KRWDZBQOSA-N 1 3 426.587 -0.011 20 0 IBADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000477479852 1073101650 /nfs/dbraw/zinc/10/16/50/1073101650.db2.gz VELREBSBUCQBBS-QGZVFWFLSA-N 1 3 426.587 -0.011 20 0 IBADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000477528068 1073104791 /nfs/dbraw/zinc/10/47/91/1073104791.db2.gz RREOKFSSTWXYSK-UHFFFAOYSA-N 1 3 426.587 -0.010 20 0 IBADHO CCN1CCN(CCNC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000482582257 1073420338 /nfs/dbraw/zinc/42/03/38/1073420338.db2.gz VPVFDMUWLQSZOR-UHFFFAOYSA-N 1 3 432.525 -0.152 20 0 IBADHO Cc1cc(C(=O)NCCN2CCN(C)CC2)cc(C(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000485702406 1073533885 /nfs/dbraw/zinc/53/38/85/1073533885.db2.gz SNVCDYGMJRKLAS-UHFFFAOYSA-N 1 3 430.597 -0.051 20 0 IBADHO NS(=O)(=O)C[C@H]1CCCN(CCOCC[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)C1 ZINC000489391851 1073610984 /nfs/dbraw/zinc/61/09/84/1073610984.db2.gz OSVGQHLWSZNARU-HOTGVXAUSA-N 1 3 426.605 -0.996 20 0 IBADHO NS(=O)(=O)C[C@H]1CCCN(CCOCC[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)C1 ZINC000489391851 1073610977 /nfs/dbraw/zinc/61/09/77/1073610977.db2.gz OSVGQHLWSZNARU-HOTGVXAUSA-N 1 3 426.605 -0.996 20 0 IBADHO NS(=O)(=O)C[C@@H]1CCCN(CCOCC[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)C1 ZINC000489392276 1073611093 /nfs/dbraw/zinc/61/10/93/1073611093.db2.gz OSVGQHLWSZNARU-HZPDHXFCSA-N 1 3 426.605 -0.996 20 0 IBADHO NS(=O)(=O)C[C@@H]1CCCN(CCOCC[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)C1 ZINC000489392276 1073611085 /nfs/dbraw/zinc/61/10/85/1073611085.db2.gz OSVGQHLWSZNARU-HZPDHXFCSA-N 1 3 426.605 -0.996 20 0 IBADHO CC1(C)C(NC(=O)[C@@H]2CN3CCN2CCC3)C(C)(C)C1NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000490883494 1073665490 /nfs/dbraw/zinc/66/54/90/1073665490.db2.gz BJQMHCHWBFNWBN-HTAFUYNTSA-N 1 3 446.640 -0.198 20 0 IBADHO CC1(C)C(NC(=O)[C@@H]2CN3CCN2CCC3)C(C)(C)C1NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000490883494 1073665482 /nfs/dbraw/zinc/66/54/82/1073665482.db2.gz BJQMHCHWBFNWBN-HTAFUYNTSA-N 1 3 446.640 -0.198 20 0 IBADHO CC1(C)C(NC(=O)[C@H]2CN3CCN2CCC3)C(C)(C)C1NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000490883502 1073666137 /nfs/dbraw/zinc/66/61/37/1073666137.db2.gz BJQMHCHWBFNWBN-NFAVZRQZSA-N 1 3 446.640 -0.198 20 0 IBADHO CC1(C)C(NC(=O)[C@H]2CN3CCN2CCC3)C(C)(C)C1NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000490883502 1073666133 /nfs/dbraw/zinc/66/61/33/1073666133.db2.gz BJQMHCHWBFNWBN-NFAVZRQZSA-N 1 3 446.640 -0.198 20 0 IBADHO CC1(C)C(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)C(C)(C)C1NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000490883503 1073666099 /nfs/dbraw/zinc/66/60/99/1073666099.db2.gz BJQMHCHWBFNWBN-OTXOEQGISA-N 1 3 446.640 -0.198 20 0 IBADHO CC1(C)C(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C(C)(C)C1NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000490883503 1073666094 /nfs/dbraw/zinc/66/60/94/1073666094.db2.gz BJQMHCHWBFNWBN-OTXOEQGISA-N 1 3 446.640 -0.198 20 0 IBADHO CC1(C)C(NC(=O)[C@H]2CN3CCN2CCC3)C(C)(C)C1NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000490883503 1073666092 /nfs/dbraw/zinc/66/60/92/1073666092.db2.gz BJQMHCHWBFNWBN-OTXOEQGISA-N 1 3 446.640 -0.198 20 0 IBADHO CC1(C)C(NC(=O)[C@H]2CN3CCN2CCC3)C(C)(C)C1NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000490883503 1073666086 /nfs/dbraw/zinc/66/60/86/1073666086.db2.gz BJQMHCHWBFNWBN-OTXOEQGISA-N 1 3 446.640 -0.198 20 0 IBADHO CN(C)[C@@]1(CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCSC1 ZINC000491571630 1072587066 /nfs/dbraw/zinc/58/70/66/1072587066.db2.gz GIGKGFAMIANKIR-GOSISDBHSA-N 1 3 425.559 -0.947 20 0 IBADHO CN(C)[C@]1(CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCSC1 ZINC000491571631 1072586964 /nfs/dbraw/zinc/58/69/64/1072586964.db2.gz GIGKGFAMIANKIR-SFHVURJKSA-N 1 3 425.559 -0.947 20 0 IBADHO CN(CCC[NH+]1CCN(C)CC1)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000492699896 1072598868 /nfs/dbraw/zinc/59/88/68/1072598868.db2.gz GEDVVZLSLWVOKT-UHFFFAOYSA-N 1 3 429.573 -0.419 20 0 IBADHO COCCN1CCCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CCC[N@@H+](CCOC)CC3)O2)CC1 ZINC000495140922 1072663420 /nfs/dbraw/zinc/66/34/20/1072663420.db2.gz 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ZINC000535010234 1072431997 /nfs/dbraw/zinc/43/19/97/1072431997.db2.gz PENHLOCQJLUKBD-MHTWAQMVSA-N 1 3 432.613 -0.443 20 0 IBADHO O=C(NC[C@@H]1CCC[C@H](NC(=O)[C@@H]2CN3CCN2CCC3)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000535010234 1072431995 /nfs/dbraw/zinc/43/19/95/1072431995.db2.gz PENHLOCQJLUKBD-MHTWAQMVSA-N 1 3 432.613 -0.443 20 0 IBADHO O=C(NC[C@@H]1CCC[C@H](NC(=O)[C@H]2CN3CCN2CCC3)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000535010235 1072432125 /nfs/dbraw/zinc/43/21/25/1072432125.db2.gz PENHLOCQJLUKBD-PLACYPQZSA-N 1 3 432.613 -0.443 20 0 IBADHO O=C(NC[C@@H]1CCC[C@H](NC(=O)[C@H]2CN3CCN2CCC3)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000535010235 1072432121 /nfs/dbraw/zinc/43/21/21/1072432121.db2.gz PENHLOCQJLUKBD-PLACYPQZSA-N 1 3 432.613 -0.443 20 0 IBADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)NC(=O)[C@H]2CN3CCN2CCC3)o1 ZINC000535729508 1071040586 /nfs/dbraw/zinc/04/05/86/1071040586.db2.gz RCJVBJVRGZHGPJ-SLFFLAALSA-N 1 3 444.580 -0.359 20 0 IBADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)NC(=O)[C@H]2CN3CCN2CCC3)o1 ZINC000535729508 1071040572 /nfs/dbraw/zinc/04/05/72/1071040572.db2.gz RCJVBJVRGZHGPJ-SLFFLAALSA-N 1 3 444.580 -0.359 20 0 IBADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)NC(=O)[C@@H]2CN3CCN2CCC3)o1 ZINC000535729509 1071040373 /nfs/dbraw/zinc/04/03/73/1071040373.db2.gz RCJVBJVRGZHGPJ-UFYCRDLUSA-N 1 3 444.580 -0.359 20 0 IBADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)NC(=O)[C@@H]2CN3CCN2CCC3)o1 ZINC000535729509 1071040365 /nfs/dbraw/zinc/04/03/65/1071040365.db2.gz RCJVBJVRGZHGPJ-UFYCRDLUSA-N 1 3 444.580 -0.359 20 0 IBADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)NC(=O)[C@H]2CN3CCN2CCC3)o1 ZINC000535729510 1071040720 /nfs/dbraw/zinc/04/07/20/1071040720.db2.gz RCJVBJVRGZHGPJ-XUVXKRRUSA-N 1 3 444.580 -0.359 20 0 IBADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)NC(=O)[C@H]2CN3CCN2CCC3)o1 ZINC000535729510 1071040715 /nfs/dbraw/zinc/04/07/15/1071040715.db2.gz RCJVBJVRGZHGPJ-XUVXKRRUSA-N 1 3 444.580 -0.359 20 0 IBADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)NC(=O)[C@@H]2CN3CCN2CCC3)o1 ZINC000535729511 1071040526 /nfs/dbraw/zinc/04/05/26/1071040526.db2.gz RCJVBJVRGZHGPJ-ZCNNSNEGSA-N 1 3 444.580 -0.359 20 0 IBADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)NC(=O)[C@@H]2CN3CCN2CCC3)o1 ZINC000535729511 1071040518 /nfs/dbraw/zinc/04/05/18/1071040518.db2.gz RCJVBJVRGZHGPJ-ZCNNSNEGSA-N 1 3 444.580 -0.359 20 0 IBADHO C[C@@H]1CN(CCOC2CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000539146597 1073174819 /nfs/dbraw/zinc/17/48/19/1073174819.db2.gz GYOFTTAZJOCJQA-HDICACEKSA-N 1 3 448.630 -0.026 20 0 IBADHO C[C@@H]1CN(CCOC2CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000539146607 1073174918 /nfs/dbraw/zinc/17/49/18/1073174918.db2.gz GYOFTTAZJOCJQA-QZTJIDSGSA-N 1 3 448.630 -0.026 20 0 IBADHO C[C@H]1CN(CCOC2CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000539146610 1073174940 /nfs/dbraw/zinc/17/49/40/1073174940.db2.gz GYOFTTAZJOCJQA-ROUUACIJSA-N 1 3 448.630 -0.026 20 0 IBADHO CC(C)[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)N1CCN(C)CC1 ZINC000550380986 1072282202 /nfs/dbraw/zinc/28/22/02/1072282202.db2.gz DLTZHTZAORQNNE-MOPGFXCFSA-N 1 3 438.617 -0.567 20 0 IBADHO CC(C)[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)N1CCN(C)CC1 ZINC000550380986 1072282194 /nfs/dbraw/zinc/28/21/94/1072282194.db2.gz DLTZHTZAORQNNE-MOPGFXCFSA-N 1 3 438.617 -0.567 20 0 IBADHO CC(C)[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)N1CCN(C)CC1 ZINC000550380987 1072282242 /nfs/dbraw/zinc/28/22/42/1072282242.db2.gz DLTZHTZAORQNNE-OALUTQOASA-N 1 3 438.617 -0.567 20 0 IBADHO CC(C)[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)N1CCN(C)CC1 ZINC000550380987 1072282238 /nfs/dbraw/zinc/28/22/38/1072282238.db2.gz DLTZHTZAORQNNE-OALUTQOASA-N 1 3 438.617 -0.567 20 0 IBADHO CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)N1CCN(C)CC1 ZINC000550380988 1072282113 /nfs/dbraw/zinc/28/21/13/1072282113.db2.gz DLTZHTZAORQNNE-RBUKOAKNSA-N 1 3 438.617 -0.567 20 0 IBADHO CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)N1CCN(C)CC1 ZINC000550380988 1072282099 /nfs/dbraw/zinc/28/20/99/1072282099.db2.gz DLTZHTZAORQNNE-RBUKOAKNSA-N 1 3 438.617 -0.567 20 0 IBADHO CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)N1CCN(C)CC1 ZINC000550380989 1072282427 /nfs/dbraw/zinc/28/24/27/1072282427.db2.gz DLTZHTZAORQNNE-RTBURBONSA-N 1 3 438.617 -0.567 20 0 IBADHO CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)N1CCN(C)CC1 ZINC000550380989 1072282421 /nfs/dbraw/zinc/28/24/21/1072282421.db2.gz DLTZHTZAORQNNE-RTBURBONSA-N 1 3 438.617 -0.567 20 0 IBADHO CN1CCN(c2ccc(CNC(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)cn2)CC1 ZINC000550555141 1072523670 /nfs/dbraw/zinc/52/36/70/1072523670.db2.gz ZPUZCIGNAPWWSH-UHFFFAOYSA-N 1 3 431.585 -0.408 20 0 IBADHO CC(C)[C@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)N1CCN(C)CC1 ZINC000550778732 1073025761 /nfs/dbraw/zinc/02/57/61/1073025761.db2.gz LOVGTGVJXXVRKK-NRFANRHFSA-N 1 3 436.645 -0.139 20 0 IBADHO CC(C)[C@@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)N1CCN(C)CC1 ZINC000550778733 1073025797 /nfs/dbraw/zinc/02/57/97/1073025797.db2.gz LOVGTGVJXXVRKK-OAQYLSRUSA-N 1 3 436.645 -0.139 20 0 IBADHO CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CCN(C)CC1 ZINC000550779097 1073026900 /nfs/dbraw/zinc/02/69/00/1073026900.db2.gz NWAUOCKQANOYHW-IBGZPJMESA-N 1 3 436.601 -0.859 20 0 IBADHO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CCN(C)CC1 ZINC000550779098 1073026686 /nfs/dbraw/zinc/02/66/86/1073026686.db2.gz NWAUOCKQANOYHW-LJQANCHMSA-N 1 3 436.601 -0.859 20 0 IBADHO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)N1CCN(C)CC1 ZINC000550779579 1073026388 /nfs/dbraw/zinc/02/63/88/1073026388.db2.gz VBLFCARFEXBQPK-ACRUOGEOSA-N 1 3 436.645 -0.141 20 0 IBADHO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)N1CCN(C)CC1 ZINC000550779580 1073026319 /nfs/dbraw/zinc/02/63/19/1073026319.db2.gz VBLFCARFEXBQPK-HBMCJLEFSA-N 1 3 436.645 -0.141 20 0 IBADHO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)N1CCN(C)CC1 ZINC000550779581 1073026342 /nfs/dbraw/zinc/02/63/42/1073026342.db2.gz VBLFCARFEXBQPK-HKBOAZHASA-N 1 3 436.645 -0.141 20 0 IBADHO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)N1CCN(C)CC1 ZINC000550779582 1073026123 /nfs/dbraw/zinc/02/61/23/1073026123.db2.gz VBLFCARFEXBQPK-NJYVYQBISA-N 1 3 436.645 -0.141 20 0 IBADHO CCN1CC[NH+](CCCCNC(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)CC1 ZINC000550791590 1073028801 /nfs/dbraw/zinc/02/88/01/1073028801.db2.gz TXFMVMQJWUOTLS-UHFFFAOYSA-N 1 3 445.612 -0.017 20 0 IBADHO CN1CCN(c2cc(CNC(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)ccn2)CC1 ZINC000550944647 1073045876 /nfs/dbraw/zinc/04/58/76/1073045876.db2.gz JMRIQEBZMFXICO-UHFFFAOYSA-N 1 3 431.585 -0.408 20 0 IBADHO C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CN1CCN(C)CC1 ZINC000551120532 1073065054 /nfs/dbraw/zinc/06/50/54/1073065054.db2.gz BYYZGDDLMJXDNC-GHTZIAJQSA-N 1 3 431.581 -0.131 20 0 IBADHO C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CN1CCN(C)CC1 ZINC000551120532 1073065048 /nfs/dbraw/zinc/06/50/48/1073065048.db2.gz BYYZGDDLMJXDNC-GHTZIAJQSA-N 1 3 431.581 -0.131 20 0 IBADHO C[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CN1CCN(C)CC1 ZINC000551120535 1073065270 /nfs/dbraw/zinc/06/52/70/1073065270.db2.gz BYYZGDDLMJXDNC-NQIIRXRSSA-N 1 3 431.581 -0.131 20 0 IBADHO C[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CN1CCN(C)CC1 ZINC000551120535 1073065264 /nfs/dbraw/zinc/06/52/64/1073065264.db2.gz BYYZGDDLMJXDNC-NQIIRXRSSA-N 1 3 431.581 -0.131 20 0 IBADHO C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CN1CCN(C)CC1 ZINC000551120537 1073065100 /nfs/dbraw/zinc/06/51/00/1073065100.db2.gz BYYZGDDLMJXDNC-RXVVDRJESA-N 1 3 431.581 -0.131 20 0 IBADHO C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CN1CCN(C)CC1 ZINC000551120537 1073065093 /nfs/dbraw/zinc/06/50/93/1073065093.db2.gz BYYZGDDLMJXDNC-RXVVDRJESA-N 1 3 431.581 -0.131 20 0 IBADHO C[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CN1CCN(C)CC1 ZINC000551120539 1073065199 /nfs/dbraw/zinc/06/51/99/1073065199.db2.gz BYYZGDDLMJXDNC-WIYYLYMNSA-N 1 3 431.581 -0.131 20 0 IBADHO C[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CN1CCN(C)CC1 ZINC000551120539 1073065191 /nfs/dbraw/zinc/06/51/91/1073065191.db2.gz BYYZGDDLMJXDNC-WIYYLYMNSA-N 1 3 431.581 -0.131 20 0 IBADHO C[C@@H](CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)CN1CCN(C)CC1 ZINC000551123462 1073064109 /nfs/dbraw/zinc/06/41/09/1073064109.db2.gz IVKHRQIJYNTILR-CBQMWWCCSA-N 1 3 434.629 -0.245 20 0 IBADHO C[C@@H](CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)CN1CCN(C)CC1 ZINC000551123462 1073064099 /nfs/dbraw/zinc/06/40/99/1073064099.db2.gz IVKHRQIJYNTILR-CBQMWWCCSA-N 1 3 434.629 -0.245 20 0 IBADHO C[C@H](CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)CN1CCN(C)CC1 ZINC000551123463 1073064275 /nfs/dbraw/zinc/06/42/75/1073064275.db2.gz IVKHRQIJYNTILR-MQEZQYLSSA-N 1 3 434.629 -0.245 20 0 IBADHO C[C@H](CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)CN1CCN(C)CC1 ZINC000551123463 1073064267 /nfs/dbraw/zinc/06/42/67/1073064267.db2.gz IVKHRQIJYNTILR-MQEZQYLSSA-N 1 3 434.629 -0.245 20 0 IBADHO CNC(=O)CN1CCC(NC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000551187848 1073069372 /nfs/dbraw/zinc/06/93/72/1073069372.db2.gz UJQHPOWJWCXENK-UHFFFAOYSA-N 1 3 445.568 -0.964 20 0 IBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)CC1 ZINC000551479805 1073088311 /nfs/dbraw/zinc/08/83/11/1073088311.db2.gz BKQYDZVNLAILGR-IBGZPJMESA-N 1 3 445.612 -0.161 20 0 IBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)CC1 ZINC000551479806 1073088540 /nfs/dbraw/zinc/08/85/40/1073088540.db2.gz BKQYDZVNLAILGR-LJQANCHMSA-N 1 3 445.612 -0.161 20 0 IBADHO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCN(C2CCC2)C1 ZINC000551625312 1073097326 /nfs/dbraw/zinc/09/73/26/1073097326.db2.gz KEOLUACCLODNHC-INIZCTEOSA-N 1 3 433.557 -0.168 20 0 IBADHO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCN(C2CCC2)C1 ZINC000551625313 1073097146 /nfs/dbraw/zinc/09/71/46/1073097146.db2.gz KEOLUACCLODNHC-MRXNPFEDSA-N 1 3 433.557 -0.168 20 0 IBADHO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000551699892 1073099753 /nfs/dbraw/zinc/09/97/53/1073099753.db2.gz VYYGQVBICCBQAL-HNNXBMFYSA-N 1 3 427.571 -0.276 20 0 IBADHO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000551699900 1073099906 /nfs/dbraw/zinc/09/99/06/1073099906.db2.gz VYYGQVBICCBQAL-OAHLLOKOSA-N 1 3 427.571 -0.276 20 0 IBADHO CN(C)C1(CNC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)Cc2ccccc2C1 ZINC000552554034 1073213048 /nfs/dbraw/zinc/21/30/48/1073213048.db2.gz OQPZIXFQFXMXGS-IBGZPJMESA-N 1 3 429.565 -0.095 20 0 IBADHO CN(C)C1(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)Cc2ccccc2C1 ZINC000552554034 1073213043 /nfs/dbraw/zinc/21/30/43/1073213043.db2.gz OQPZIXFQFXMXGS-IBGZPJMESA-N 1 3 429.565 -0.095 20 0 IBADHO CN(C)C1(CNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)Cc2ccccc2C1 ZINC000552554035 1073212786 /nfs/dbraw/zinc/21/27/86/1073212786.db2.gz OQPZIXFQFXMXGS-LJQANCHMSA-N 1 3 429.565 -0.095 20 0 IBADHO CN(C)C1(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)Cc2ccccc2C1 ZINC000552554035 1073212776 /nfs/dbraw/zinc/21/27/76/1073212776.db2.gz OQPZIXFQFXMXGS-LJQANCHMSA-N 1 3 429.565 -0.095 20 0 IBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552557328 1073213508 /nfs/dbraw/zinc/21/35/08/1073213508.db2.gz RYIAPVOUNQUIHL-INIZCTEOSA-N 1 3 425.574 -0.304 20 0 IBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552557328 1073213505 /nfs/dbraw/zinc/21/35/05/1073213505.db2.gz RYIAPVOUNQUIHL-INIZCTEOSA-N 1 3 425.574 -0.304 20 0 IBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552557332 1073213490 /nfs/dbraw/zinc/21/34/90/1073213490.db2.gz RYIAPVOUNQUIHL-MRXNPFEDSA-N 1 3 425.574 -0.304 20 0 IBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552557332 1073213488 /nfs/dbraw/zinc/21/34/88/1073213488.db2.gz RYIAPVOUNQUIHL-MRXNPFEDSA-N 1 3 425.574 -0.304 20 0 IBADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)CC2)CC1 ZINC000552867844 1073233415 /nfs/dbraw/zinc/23/34/15/1073233415.db2.gz MIUATKIVAJRRHA-UHFFFAOYSA-N 1 3 449.596 -0.288 20 0 IBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000552867886 1073233219 /nfs/dbraw/zinc/23/32/19/1073233219.db2.gz QFZNYXPHMMUUHT-UHFFFAOYSA-N 1 3 432.569 -0.597 20 0 IBADHO CC(=O)N1CCN(c2ccccc2CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000553031455 1073245231 /nfs/dbraw/zinc/24/52/31/1073245231.db2.gz PTEIUSGZPHBMHI-UHFFFAOYSA-N 1 3 446.596 -0.077 20 0 IBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000553265557 1073260533 /nfs/dbraw/zinc/26/05/33/1073260533.db2.gz RYIIODXZJORDCD-UHFFFAOYSA-N 1 3 437.585 -0.240 20 0 IBADHO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000553342176 1073265591 /nfs/dbraw/zinc/26/55/91/1073265591.db2.gz NAXSZIOVLKEDAY-HNNXBMFYSA-N 1 3 427.571 -0.276 20 0 IBADHO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000553342177 1073266011 /nfs/dbraw/zinc/26/60/11/1073266011.db2.gz NAXSZIOVLKEDAY-OAHLLOKOSA-N 1 3 427.571 -0.276 20 0 IBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000553604106 1073278382 /nfs/dbraw/zinc/27/83/82/1073278382.db2.gz ONENWRZQKPTYPF-UHFFFAOYSA-N 1 3 435.569 -0.486 20 0 IBADHO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000553618349 1073278400 /nfs/dbraw/zinc/27/84/00/1073278400.db2.gz ALXQXHJTZCJQSC-UHFFFAOYSA-N 1 3 437.585 -0.241 20 0 IBADHO COc1cnccc1N1CCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000554105454 1073302799 /nfs/dbraw/zinc/30/27/99/1073302799.db2.gz URXVMEWVMQQNRC-UHFFFAOYSA-N 1 3 446.552 -0.202 20 0 IBADHO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)C[C@H](C)O1 ZINC000554343952 1073318901 /nfs/dbraw/zinc/31/89/01/1073318901.db2.gz ZKWDKDZJRPYINP-CEXWTWQISA-N 1 3 439.601 -0.535 20 0 IBADHO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)C[C@H](C)O1 ZINC000554343952 1073318896 /nfs/dbraw/zinc/31/88/96/1073318896.db2.gz ZKWDKDZJRPYINP-CEXWTWQISA-N 1 3 439.601 -0.535 20 0 IBADHO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)C[C@@H](C)O1 ZINC000554343953 1073318753 /nfs/dbraw/zinc/31/87/53/1073318753.db2.gz ZKWDKDZJRPYINP-GUDVDZBRSA-N 1 3 439.601 -0.535 20 0 IBADHO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)C[C@@H](C)O1 ZINC000554343953 1073318749 /nfs/dbraw/zinc/31/87/49/1073318749.db2.gz ZKWDKDZJRPYINP-GUDVDZBRSA-N 1 3 439.601 -0.535 20 0 IBADHO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)C[C@H](C)O1 ZINC000554343954 1073318704 /nfs/dbraw/zinc/31/87/04/1073318704.db2.gz ZKWDKDZJRPYINP-OTWHNJEPSA-N 1 3 439.601 -0.535 20 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O=C(NCCc1csc(NC(=O)[C@H]2CN3CCN2CCC3)n1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000555319613 1073362121 /nfs/dbraw/zinc/36/21/21/1073362121.db2.gz VDKOQEZDTSGAHT-QZTJIDSGSA-N 1 3 447.609 -0.480 20 0 IBADHO O=C(NCCc1csc(NC(=O)[C@H]2CN3CCN2CCC3)n1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000555319613 1073362116 /nfs/dbraw/zinc/36/21/16/1073362116.db2.gz VDKOQEZDTSGAHT-QZTJIDSGSA-N 1 3 447.609 -0.480 20 0 IBADHO O=C(NCCc1csc(NC(=O)[C@@H]2CN3CCN2CCC3)n1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000555319614 1073362185 /nfs/dbraw/zinc/36/21/85/1073362185.db2.gz VDKOQEZDTSGAHT-ROUUACIJSA-N 1 3 447.609 -0.480 20 0 IBADHO O=C(NCCc1csc(NC(=O)[C@@H]2CN3CCN2CCC3)n1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000555319614 1073362180 /nfs/dbraw/zinc/36/21/80/1073362180.db2.gz VDKOQEZDTSGAHT-ROUUACIJSA-N 1 3 447.609 -0.480 20 0 IBADHO O=C(Nc1nc(CCNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cs1)[C@H]1CN2CCN1CCC2 ZINC000555319615 1073362005 /nfs/dbraw/zinc/36/20/05/1073362005.db2.gz VDKOQEZDTSGAHT-ZWKOTPCHSA-N 1 3 447.609 -0.480 20 0 IBADHO O=C(Nc1nc(CCNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cs1)[C@H]1CN2CCN1CCC2 ZINC000555319615 1073362000 /nfs/dbraw/zinc/36/20/00/1073362000.db2.gz VDKOQEZDTSGAHT-ZWKOTPCHSA-N 1 3 447.609 -0.480 20 0 IBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000555872199 1073386584 /nfs/dbraw/zinc/38/65/84/1073386584.db2.gz CPEYAXUFLBXZCZ-UHFFFAOYSA-N 1 3 433.553 -0.273 20 0 IBADHO CCN1CCN(c2ccc(CNC(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)cn2)CC1 ZINC000555975468 1073400048 /nfs/dbraw/zinc/40/00/48/1073400048.db2.gz RGRSTKQEXHDBSW-UHFFFAOYSA-N 1 3 445.612 -0.018 20 0 IBADHO CCCNC(=O)CN1CCC(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000556187650 1072829887 /nfs/dbraw/zinc/82/98/87/1072829887.db2.gz JWWUXQZKDQTNTQ-UHFFFAOYSA-N 1 3 438.617 -0.422 20 0 IBADHO CCCNC(=O)CN1CCC(NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC000556187650 1072829880 /nfs/dbraw/zinc/82/98/80/1072829880.db2.gz JWWUXQZKDQTNTQ-UHFFFAOYSA-N 1 3 438.617 -0.422 20 0 IBADHO C[C@@H](CNC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)CN1CCOCC1 ZINC000557250000 1074688979 /nfs/dbraw/zinc/68/89/79/1074688979.db2.gz KQAMCRUWYYSQLV-IBGZPJMESA-N 1 3 432.569 -0.206 20 0 IBADHO C[C@H](CNC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)CN1CCOCC1 ZINC000557250002 1074688973 /nfs/dbraw/zinc/68/89/73/1074688973.db2.gz KQAMCRUWYYSQLV-LJQANCHMSA-N 1 3 432.569 -0.206 20 0 IBADHO COc1cnccc1N1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557255747 1074689787 /nfs/dbraw/zinc/68/97/87/1074689787.db2.gz ROPLJBGMGDYHNF-INIZCTEOSA-N 1 3 432.525 -0.558 20 0 IBADHO COc1cnccc1N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557255747 1074689786 /nfs/dbraw/zinc/68/97/86/1074689786.db2.gz ROPLJBGMGDYHNF-INIZCTEOSA-N 1 3 432.525 -0.558 20 0 IBADHO COc1cnccc1N1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557255749 1074689727 /nfs/dbraw/zinc/68/97/27/1074689727.db2.gz ROPLJBGMGDYHNF-MRXNPFEDSA-N 1 3 432.525 -0.558 20 0 IBADHO COc1cnccc1N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557255749 1074689723 /nfs/dbraw/zinc/68/97/23/1074689723.db2.gz ROPLJBGMGDYHNF-MRXNPFEDSA-N 1 3 432.525 -0.558 20 0 IBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000557414148 1074698629 /nfs/dbraw/zinc/69/86/29/1074698629.db2.gz FEMDZPDFSSSFGA-GOSISDBHSA-N 1 3 437.585 -0.194 20 0 IBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000557414152 1074698452 /nfs/dbraw/zinc/69/84/52/1074698452.db2.gz FEMDZPDFSSSFGA-SFHVURJKSA-N 1 3 437.585 -0.194 20 0 IBADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC000557415198 1074699303 /nfs/dbraw/zinc/69/93/03/1074699303.db2.gz SEAPFLHLMQMZJN-MSOLQXFVSA-N 1 3 425.574 -0.338 20 0 IBADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC000557415198 1074699299 /nfs/dbraw/zinc/69/92/99/1074699299.db2.gz SEAPFLHLMQMZJN-MSOLQXFVSA-N 1 3 425.574 -0.338 20 0 IBADHO 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CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@H]2CN(C)CCN2C)CC1 ZINC000569750184 1071268996 /nfs/dbraw/zinc/26/89/96/1071268996.db2.gz NQSRTXMUIQPEAW-NRFANRHFSA-N 1 3 430.597 -0.198 20 0 IBADHO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2CN(C)CCN2C)CC1 ZINC000569750185 1072432784 /nfs/dbraw/zinc/43/27/84/1072432784.db2.gz NQSRTXMUIQPEAW-OAQYLSRUSA-N 1 3 430.597 -0.198 20 0 IBADHO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)ccn1 ZINC000570480730 1072445212 /nfs/dbraw/zinc/44/52/12/1072445212.db2.gz WXSBYGCSKJMTTB-UHFFFAOYSA-N 1 3 446.552 -0.595 20 0 IBADHO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1 ZINC000570870582 1072453218 /nfs/dbraw/zinc/45/32/18/1072453218.db2.gz KQWSRSRTUYQAKX-IBGZPJMESA-N 1 3 432.569 -0.077 20 0 IBADHO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1 ZINC000570870582 1072453211 /nfs/dbraw/zinc/45/32/11/1072453211.db2.gz KQWSRSRTUYQAKX-IBGZPJMESA-N 1 3 432.569 -0.077 20 0 IBADHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1 ZINC000570870652 1072453266 /nfs/dbraw/zinc/45/32/66/1072453266.db2.gz KQWSRSRTUYQAKX-LJQANCHMSA-N 1 3 432.569 -0.077 20 0 IBADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1 ZINC000570870652 1072453258 /nfs/dbraw/zinc/45/32/58/1072453258.db2.gz KQWSRSRTUYQAKX-LJQANCHMSA-N 1 3 432.569 -0.077 20 0 IBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000574601047 1072500505 /nfs/dbraw/zinc/50/05/05/1072500505.db2.gz XCBTXIKXIPJZLG-GUDVDZBRSA-N 1 3 435.569 -0.755 20 0 IBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000574601048 1072500519 /nfs/dbraw/zinc/50/05/19/1072500519.db2.gz XCBTXIKXIPJZLG-IPMKNSEASA-N 1 3 435.569 -0.755 20 0 IBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000574601049 1072500489 /nfs/dbraw/zinc/50/04/89/1072500489.db2.gz XCBTXIKXIPJZLG-OTWHNJEPSA-N 1 3 435.569 -0.755 20 0 IBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000574601050 1072500383 /nfs/dbraw/zinc/50/03/83/1072500383.db2.gz XCBTXIKXIPJZLG-QRVBRYPASA-N 1 3 435.569 -0.755 20 0 IBADHO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1 ZINC000574708111 1072501886 /nfs/dbraw/zinc/50/18/86/1072501886.db2.gz VCJMJZSEEAMWFZ-IBGZPJMESA-N 1 3 432.569 -0.077 20 0 IBADHO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1 ZINC000574708111 1072501867 /nfs/dbraw/zinc/50/18/67/1072501867.db2.gz VCJMJZSEEAMWFZ-IBGZPJMESA-N 1 3 432.569 -0.077 20 0 IBADHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1 ZINC000574708113 1072502056 /nfs/dbraw/zinc/50/20/56/1072502056.db2.gz VCJMJZSEEAMWFZ-LJQANCHMSA-N 1 3 432.569 -0.077 20 0 IBADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1 ZINC000574708113 1072502050 /nfs/dbraw/zinc/50/20/50/1072502050.db2.gz VCJMJZSEEAMWFZ-LJQANCHMSA-N 1 3 432.569 -0.077 20 0 IBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000574840847 1072503738 /nfs/dbraw/zinc/50/37/38/1072503738.db2.gz WMLGHOMVHAAPHB-MOPGFXCFSA-N 1 3 437.585 -0.507 20 0 IBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000574840850 1072503630 /nfs/dbraw/zinc/50/36/30/1072503630.db2.gz WMLGHOMVHAAPHB-OALUTQOASA-N 1 3 437.585 -0.507 20 0 IBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000574840851 1072503537 /nfs/dbraw/zinc/50/35/37/1072503537.db2.gz WMLGHOMVHAAPHB-RBUKOAKNSA-N 1 3 437.585 -0.507 20 0 IBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000574840853 1072503615 /nfs/dbraw/zinc/50/36/15/1072503615.db2.gz WMLGHOMVHAAPHB-RTBURBONSA-N 1 3 437.585 -0.507 20 0 IBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000576020093 1072514541 /nfs/dbraw/zinc/51/45/41/1072514541.db2.gz SMBYIYARYWRTKX-PMACEKPBSA-N 1 3 449.596 -0.363 20 0 IBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000576020096 1072514671 /nfs/dbraw/zinc/51/46/71/1072514671.db2.gz SMBYIYARYWRTKX-UXHICEINSA-N 1 3 449.596 -0.363 20 0 IBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000576020097 1072514569 /nfs/dbraw/zinc/51/45/69/1072514569.db2.gz SMBYIYARYWRTKX-VQTJNVASSA-N 1 3 449.596 -0.363 20 0 IBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000576020099 1072514636 /nfs/dbraw/zinc/51/46/36/1072514636.db2.gz SMBYIYARYWRTKX-WOJBJXKFSA-N 1 3 449.596 -0.363 20 0 IBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000576525221 1072523150 /nfs/dbraw/zinc/52/31/50/1072523150.db2.gz FASJHNPKYIKOJZ-UHFFFAOYSA-N 1 3 440.570 -0.244 20 0 IBADHO O=C(CN1CCN(CC2CC2)CC1)N1CCN(C(=O)CN2CC[NH+](CC3CC3)CC2)CC1 ZINC000577839832 1072551711 /nfs/dbraw/zinc/55/17/11/1072551711.db2.gz GGYMBGQFVITSHA-UHFFFAOYSA-N 1 3 446.640 -0.288 20 0 IBADHO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)CC1 ZINC000578031362 1072554927 /nfs/dbraw/zinc/55/49/27/1072554927.db2.gz QJJJYFWWGIYITK-IBGZPJMESA-N 1 3 438.617 -0.613 20 0 IBADHO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)CC1 ZINC000578031363 1072555158 /nfs/dbraw/zinc/55/51/58/1072555158.db2.gz QJJJYFWWGIYITK-LJQANCHMSA-N 1 3 438.617 -0.613 20 0 IBADHO CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000578772947 1072569780 /nfs/dbraw/zinc/56/97/80/1072569780.db2.gz YGHCBGBFZRLMRK-IBGZPJMESA-N 1 3 438.617 -0.519 20 0 IBADHO CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000578772948 1072569717 /nfs/dbraw/zinc/56/97/17/1072569717.db2.gz YGHCBGBFZRLMRK-LJQANCHMSA-N 1 3 438.617 -0.519 20 0 IBADHO O=C(NCc1ccnc(NC(=O)[C@@H]2CN3CCN2CCC3)c1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000579217616 1072262914 /nfs/dbraw/zinc/26/29/14/1072262914.db2.gz CSWUAACQGIPCKU-MOPGFXCFSA-N 1 3 427.553 -0.584 20 0 IBADHO O=C(NCc1ccnc(NC(=O)[C@@H]2CN3CCN2CCC3)c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000579217616 1072262908 /nfs/dbraw/zinc/26/29/08/1072262908.db2.gz CSWUAACQGIPCKU-MOPGFXCFSA-N 1 3 427.553 -0.584 20 0 IBADHO O=C(NCc1ccnc(NC(=O)[C@@H]2CN3CCN2CCC3)c1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000579217617 1072262822 /nfs/dbraw/zinc/26/28/22/1072262822.db2.gz CSWUAACQGIPCKU-OALUTQOASA-N 1 3 427.553 -0.584 20 0 IBADHO O=C(NCc1ccnc(NC(=O)[C@@H]2CN3CCN2CCC3)c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000579217617 1072262814 /nfs/dbraw/zinc/26/28/14/1072262814.db2.gz CSWUAACQGIPCKU-OALUTQOASA-N 1 3 427.553 -0.584 20 0 IBADHO O=C(Nc1cc(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)ccn1)[C@H]1CN2CCN1CCC2 ZINC000579217618 1072263062 /nfs/dbraw/zinc/26/30/62/1072263062.db2.gz CSWUAACQGIPCKU-RBUKOAKNSA-N 1 3 427.553 -0.584 20 0 IBADHO O=C(Nc1cc(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)ccn1)[C@H]1CN2CCN1CCC2 ZINC000579217618 1072263055 /nfs/dbraw/zinc/26/30/55/1072263055.db2.gz CSWUAACQGIPCKU-RBUKOAKNSA-N 1 3 427.553 -0.584 20 0 IBADHO O=C(NCc1ccnc(NC(=O)[C@H]2CN3CCN2CCC3)c1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000579217619 1072263004 /nfs/dbraw/zinc/26/30/04/1072263004.db2.gz CSWUAACQGIPCKU-RTBURBONSA-N 1 3 427.553 -0.584 20 0 IBADHO O=C(NCc1ccnc(NC(=O)[C@H]2CN3CCN2CCC3)c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000579217619 1072262994 /nfs/dbraw/zinc/26/29/94/1072262994.db2.gz CSWUAACQGIPCKU-RTBURBONSA-N 1 3 427.553 -0.584 20 0 IBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000579753815 1070797281 /nfs/dbraw/zinc/79/72/81/1070797281.db2.gz PEBXQHYVWONPDG-KRWDZBQOSA-N 1 3 445.572 -0.591 20 0 IBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000579753816 1070797062 /nfs/dbraw/zinc/79/70/62/1070797062.db2.gz PEBXQHYVWONPDG-QGZVFWFLSA-N 1 3 445.572 -0.591 20 0 IBADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000580915655 1070953214 /nfs/dbraw/zinc/95/32/14/1070953214.db2.gz WOZQNIKPBKPVFN-UHFFFAOYSA-N 1 3 437.585 -0.241 20 0 IBADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000582629559 1071112620 /nfs/dbraw/zinc/11/26/20/1071112620.db2.gz JGHUZENVGUCFPS-IBGZPJMESA-N 1 3 437.585 -0.243 20 0 IBADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000582629564 1071112868 /nfs/dbraw/zinc/11/28/68/1071112868.db2.gz JGHUZENVGUCFPS-LJQANCHMSA-N 1 3 437.585 -0.243 20 0 IBADHO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)C1 ZINC000582679894 1071115512 /nfs/dbraw/zinc/11/55/12/1071115512.db2.gz XKKDIORERCAISC-IBGZPJMESA-N 1 3 432.569 -0.077 20 0 IBADHO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)C1 ZINC000582679894 1071115504 /nfs/dbraw/zinc/11/55/04/1071115504.db2.gz XKKDIORERCAISC-IBGZPJMESA-N 1 3 432.569 -0.077 20 0 IBADHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)C1 ZINC000582679895 1071116494 /nfs/dbraw/zinc/11/64/94/1071116494.db2.gz XKKDIORERCAISC-LJQANCHMSA-N 1 3 432.569 -0.077 20 0 IBADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)C1 ZINC000582679895 1071116486 /nfs/dbraw/zinc/11/64/86/1071116486.db2.gz XKKDIORERCAISC-LJQANCHMSA-N 1 3 432.569 -0.077 20 0 IBADHO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(OCCN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000583398902 1071163692 /nfs/dbraw/zinc/16/36/92/1071163692.db2.gz OYFRRIVLYLVXMI-CEXWTWQISA-N 1 3 440.585 -0.060 20 0 IBADHO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(OCCN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000583398902 1071163679 /nfs/dbraw/zinc/16/36/79/1071163679.db2.gz OYFRRIVLYLVXMI-CEXWTWQISA-N 1 3 440.585 -0.060 20 0 IBADHO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(OCCN3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000583398903 1071163861 /nfs/dbraw/zinc/16/38/61/1071163861.db2.gz OYFRRIVLYLVXMI-FHWLQOOXSA-N 1 3 440.585 -0.060 20 0 IBADHO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(OCCN3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000583398903 1071163855 /nfs/dbraw/zinc/16/38/55/1071163855.db2.gz OYFRRIVLYLVXMI-FHWLQOOXSA-N 1 3 440.585 -0.060 20 0 IBADHO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(OCCN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000583398904 1071163965 /nfs/dbraw/zinc/16/39/65/1071163965.db2.gz OYFRRIVLYLVXMI-OTWHNJEPSA-N 1 3 440.585 -0.060 20 0 IBADHO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(OCCN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000583398904 1071163961 /nfs/dbraw/zinc/16/39/61/1071163961.db2.gz OYFRRIVLYLVXMI-OTWHNJEPSA-N 1 3 440.585 -0.060 20 0 IBADHO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(OCCN3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000583398905 1071164011 /nfs/dbraw/zinc/16/40/11/1071164011.db2.gz OYFRRIVLYLVXMI-QRVBRYPASA-N 1 3 440.585 -0.060 20 0 IBADHO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(OCCN3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000583398905 1071164008 /nfs/dbraw/zinc/16/40/08/1071164008.db2.gz OYFRRIVLYLVXMI-QRVBRYPASA-N 1 3 440.585 -0.060 20 0 IBADHO C[NH+]1CCC(N2CCC(NC(=O)NCCN3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC000589250481 1072196023 /nfs/dbraw/zinc/19/60/23/1072196023.db2.gz KMMUVLVPSBCMLW-UHFFFAOYSA-N 1 3 430.619 -0.579 20 0 IBADHO C[C@@H](CN1CCOCC1)C(=O)N1CCN(CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000647715072 1071425451 /nfs/dbraw/zinc/42/54/51/1071425451.db2.gz LZPHAELLEJCWOU-PMACEKPBSA-N 1 3 439.601 -0.817 20 0 IBADHO C[C@H](C[NH+]1CCOCC1)C(=O)NCCN1CCN(C(=O)[C@@H](C)CN2CCOCC2)CC1 ZINC000647715073 1071425391 /nfs/dbraw/zinc/42/53/91/1071425391.db2.gz LZPHAELLEJCWOU-UXHICEINSA-N 1 3 439.601 -0.817 20 0 IBADHO C[C@H](CN1CCOCC1)C(=O)N1CCN(CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000647715074 1071425619 /nfs/dbraw/zinc/42/56/19/1071425619.db2.gz LZPHAELLEJCWOU-VQTJNVASSA-N 1 3 439.601 -0.817 20 0 IBADHO C[C@H](CN1CCOCC1)C(=O)N1CCN(CCNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000647715075 1071425634 /nfs/dbraw/zinc/42/56/34/1071425634.db2.gz LZPHAELLEJCWOU-WOJBJXKFSA-N 1 3 439.601 -0.817 20 0 IBADHO CN1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)cn2)CC1 ZINC000670786431 1072994022 /nfs/dbraw/zinc/99/40/22/1072994022.db2.gz AMEBVCXECDNARX-IBGZPJMESA-N 1 3 443.596 -0.266 20 0 IBADHO CN1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)cn2)CC1 ZINC000670786432 1072993999 /nfs/dbraw/zinc/99/39/99/1072993999.db2.gz AMEBVCXECDNARX-LJQANCHMSA-N 1 3 443.596 -0.266 20 0 IBADHO CN1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)ccn2)CC1 ZINC000670892077 1073016723 /nfs/dbraw/zinc/01/67/23/1073016723.db2.gz BQDHDPKAGAAPER-IBGZPJMESA-N 1 3 443.596 -0.266 20 0 IBADHO CN1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)ccn2)CC1 ZINC000670892078 1073016609 /nfs/dbraw/zinc/01/66/09/1073016609.db2.gz BQDHDPKAGAAPER-LJQANCHMSA-N 1 3 443.596 -0.266 20 0 IBADHO CCCNC(=O)CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000671061027 1073034864 /nfs/dbraw/zinc/03/48/64/1073034864.db2.gz HQYVIFGNRSQOJH-GOSISDBHSA-N 1 3 436.601 -0.622 20 0 IBADHO CCCNC(=O)CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000671061027 1073034859 /nfs/dbraw/zinc/03/48/59/1073034859.db2.gz HQYVIFGNRSQOJH-GOSISDBHSA-N 1 3 436.601 -0.622 20 0 IBADHO 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C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000784822030 1072999979 /nfs/dbraw/zinc/99/99/79/1072999979.db2.gz HZXZCTHKAMKGLF-LJQANCHMSA-N 1 3 444.580 -0.100 20 0 IBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000787112305 1073737690 /nfs/dbraw/zinc/73/76/90/1073737690.db2.gz DAXXWQMBMYXHEY-IBGZPJMESA-N 1 3 437.585 -0.241 20 0 IBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000787112306 1073737813 /nfs/dbraw/zinc/73/78/13/1073737813.db2.gz DAXXWQMBMYXHEY-LJQANCHMSA-N 1 3 437.585 -0.241 20 0 IBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000787125169 1073738840 /nfs/dbraw/zinc/73/88/40/1073738840.db2.gz OJOKPZLKTYEKHO-IBGZPJMESA-N 1 3 435.569 -0.487 20 0 IBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000787125171 1073738861 /nfs/dbraw/zinc/73/88/61/1073738861.db2.gz OJOKPZLKTYEKHO-LJQANCHMSA-N 1 3 435.569 -0.487 20 0 IBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000787135633 1073738362 /nfs/dbraw/zinc/73/83/62/1073738362.db2.gz CHSZNZANJABYJF-MOPGFXCFSA-N 1 3 435.569 -0.489 20 0 IBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000787135634 1073738434 /nfs/dbraw/zinc/73/84/34/1073738434.db2.gz CHSZNZANJABYJF-OALUTQOASA-N 1 3 435.569 -0.489 20 0 IBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000787135635 1073738924 /nfs/dbraw/zinc/73/89/24/1073738924.db2.gz CHSZNZANJABYJF-RBUKOAKNSA-N 1 3 435.569 -0.489 20 0 IBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000787135636 1073738767 /nfs/dbraw/zinc/73/87/67/1073738767.db2.gz CHSZNZANJABYJF-RTBURBONSA-N 1 3 435.569 -0.489 20 0 IBADHO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000803660101 1072703543 /nfs/dbraw/zinc/70/35/43/1072703543.db2.gz SVXWMHWJJNJNBU-MOPGFXCFSA-N 1 3 431.537 -0.426 20 0 IBADHO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000803660102 1072703568 /nfs/dbraw/zinc/70/35/68/1072703568.db2.gz SVXWMHWJJNJNBU-OALUTQOASA-N 1 3 431.537 -0.426 20 0 IBADHO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000803660103 1072703460 /nfs/dbraw/zinc/70/34/60/1072703460.db2.gz SVXWMHWJJNJNBU-RBUKOAKNSA-N 1 3 431.537 -0.426 20 0 IBADHO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000803660104 1072703435 /nfs/dbraw/zinc/70/34/35/1072703435.db2.gz SVXWMHWJJNJNBU-RTBURBONSA-N 1 3 431.537 -0.426 20 0 IBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000804056125 1072817848 /nfs/dbraw/zinc/81/78/48/1072817848.db2.gz JTCOGTFUJJKHKE-PMACEKPBSA-N 1 3 449.596 -0.194 20 0 IBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000804056126 1072818176 /nfs/dbraw/zinc/81/81/76/1072818176.db2.gz JTCOGTFUJJKHKE-UXHICEINSA-N 1 3 449.596 -0.194 20 0 IBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000804056127 1072817867 /nfs/dbraw/zinc/81/78/67/1072817867.db2.gz JTCOGTFUJJKHKE-VQTJNVASSA-N 1 3 449.596 -0.194 20 0 IBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000804056128 1072818068 /nfs/dbraw/zinc/81/80/68/1072818068.db2.gz JTCOGTFUJJKHKE-WOJBJXKFSA-N 1 3 449.596 -0.194 20 0 IBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000807782026 1073926332 /nfs/dbraw/zinc/92/63/32/1073926332.db2.gz QDWLDBFRBIWBHI-UHFFFAOYSA-N 1 3 445.508 -0.632 20 0 IBADHO COC(=O)N1CCN(c2ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn2)CC1 ZINC000815596391 1074028257 /nfs/dbraw/zinc/02/82/57/1074028257.db2.gz RYVBPBILLHLNQA-UHFFFAOYSA-N 1 3 449.556 -0.140 20 0 IBADHO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)C2 ZINC001116737730 1073046623 /nfs/dbraw/zinc/04/66/23/1073046623.db2.gz DVZDSOYBWVPSCS-UHFFFAOYSA-N 1 3 448.572 -0.783 20 0 IBADHO O=C(CSCC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001117737362 1073057490 /nfs/dbraw/zinc/05/74/90/1073057490.db2.gz LPJSFTVNVNYYSL-XSLAGTTESA-N 1 3 426.583 -0.945 20 0 IBADHO O=C(CSCC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001117737362 1073057481 /nfs/dbraw/zinc/05/74/81/1073057481.db2.gz LPJSFTVNVNYYSL-XSLAGTTESA-N 1 3 426.583 -0.945 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2cccnc2=O)[C@H](O)OC(C)(C)C)C1 ZINC001141957502 1072562533 /nfs/dbraw/zinc/56/25/33/1072562533.db2.gz DFKFZABSPRJJEN-IMYGGXQCSA-N 1 3 425.530 -0.461 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2cccnc2=O)[C@H](O)OC(C)(C)C)C1 ZINC001141957506 1072562426 /nfs/dbraw/zinc/56/24/26/1072562426.db2.gz DFKFZABSPRJJEN-NDVSXACPSA-N 1 3 425.530 -0.461 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2cccnc2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001141957507 1072562572 /nfs/dbraw/zinc/56/25/72/1072562572.db2.gz DFKFZABSPRJJEN-SARNLOFESA-N 1 3 425.530 -0.461 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2cccnc2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001141957509 1072562591 /nfs/dbraw/zinc/56/25/91/1072562591.db2.gz DFKFZABSPRJJEN-XQWZKXDRSA-N 1 3 425.530 -0.461 20 0 IBADHO CC(=O)N1C[C@H](O)C[C@H]1C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001143038270 1073094491 /nfs/dbraw/zinc/09/44/91/1073094491.db2.gz QYGBGDHSGCNOAX-CRYCLNTLSA-N 1 3 444.573 -0.736 20 0 IBADHO CC(=O)N1C[C@H](O)C[C@H]1C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001143038271 1073094665 /nfs/dbraw/zinc/09/46/65/1073094665.db2.gz QYGBGDHSGCNOAX-GPDUBVANSA-N 1 3 444.573 -0.736 20 0 IBADHO CC(=O)N1C[C@H](O)C[C@H]1C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001143038272 1073094644 /nfs/dbraw/zinc/09/46/44/1073094644.db2.gz QYGBGDHSGCNOAX-JQOXKECFSA-N 1 3 444.573 -0.736 20 0 IBADHO CC(=O)N1C[C@H](O)C[C@H]1C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001143038273 1073094596 /nfs/dbraw/zinc/09/45/96/1073094596.db2.gz QYGBGDHSGCNOAX-OGQIGFOHSA-N 1 3 444.573 -0.736 20 0 IBADHO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CCN2CCN(C)CC2)c2nonc21 ZINC001143238144 1073096776 /nfs/dbraw/zinc/09/67/76/1073096776.db2.gz YBEHDEDCMOWGIL-UHFFFAOYSA-N 1 3 439.542 -0.598 20 0 IBADHO O=C(C1CCCS1(=O)=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001143471848 1071314005 /nfs/dbraw/zinc/31/40/05/1071314005.db2.gz VHASJUMNKGEFMY-RRFJBIMHSA-N 1 3 440.547 -0.605 20 0 IBADHO O=C(C1CCCS1(=O)=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001143471851 1071313748 /nfs/dbraw/zinc/31/37/48/1071313748.db2.gz VHASJUMNKGEFMY-SOUVJXGZSA-N 1 3 440.547 -0.605 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCCS(N)(=O)=O)[C@H](O)OC(C)(C)C)C1 ZINC001144594468 1074075471 /nfs/dbraw/zinc/07/54/71/1074075471.db2.gz LSIPBFJRGVAAGQ-CUINURIISA-N 1 3 438.591 -0.649 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCCS(N)(=O)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001144594477 1074075678 /nfs/dbraw/zinc/07/56/78/1074075678.db2.gz LSIPBFJRGVAAGQ-JBJRXJHCSA-N 1 3 438.591 -0.649 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCCS(N)(=O)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001144594478 1074075818 /nfs/dbraw/zinc/07/58/18/1074075818.db2.gz LSIPBFJRGVAAGQ-WAXYHTEFSA-N 1 3 438.591 -0.649 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCCS(N)(=O)=O)[C@H](O)OC(C)(C)C)C1 ZINC001144594479 1074075783 /nfs/dbraw/zinc/07/57/83/1074075783.db2.gz LSIPBFJRGVAAGQ-WLRQEKSISA-N 1 3 438.591 -0.649 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2nccnc2C(N)=O)[C@H](O)OC(C)(C)C)C1 ZINC001147759691 1074104879 /nfs/dbraw/zinc/10/48/79/1074104879.db2.gz GUIQKSXRAOIHCZ-QFPJVRJESA-N 1 3 438.529 -0.515 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2nccnc2C(N)=O)[C@H](O)OC(C)(C)C)C1 ZINC001147759697 1074104865 /nfs/dbraw/zinc/10/48/65/1074104865.db2.gz GUIQKSXRAOIHCZ-VYTNBFIRSA-N 1 3 438.529 -0.515 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2nccnc2C(N)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001147759701 1074104782 /nfs/dbraw/zinc/10/47/82/1074104782.db2.gz GUIQKSXRAOIHCZ-YKFCVNMJSA-N 1 3 438.529 -0.515 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2nccnc2C(N)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001147759705 1074104884 /nfs/dbraw/zinc/10/48/84/1074104884.db2.gz GUIQKSXRAOIHCZ-ZAOLFHJGSA-N 1 3 438.529 -0.515 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=CN3NC=CC=C3N2)[C@H](O)OC(C)(C)C)C1 ZINC001149446203 1073098368 /nfs/dbraw/zinc/09/83/68/1073098368.db2.gz FIGSKFFHGKXGHP-CCYCNUDBSA-N 1 3 436.557 -0.098 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=CN3NC=CC=C3N2)[C@@H](O)OC(C)(C)C)C1 ZINC001149446204 1073098420 /nfs/dbraw/zinc/09/84/20/1073098420.db2.gz FIGSKFFHGKXGHP-GDQDSAMQSA-N 1 3 436.557 -0.098 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=CN3NC=CC=C3N2)[C@H](O)OC(C)(C)C)C1 ZINC001149446206 1073098743 /nfs/dbraw/zinc/09/87/43/1073098743.db2.gz FIGSKFFHGKXGHP-KJOTTYOHSA-N 1 3 436.557 -0.098 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=CN3NC=CC=C3N2)[C@@H](O)OC(C)(C)C)C1 ZINC001149446209 1073098719 /nfs/dbraw/zinc/09/87/19/1073098719.db2.gz FIGSKFFHGKXGHP-RSXWSOLBSA-N 1 3 436.557 -0.098 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=CNN3C=CNC=C23)[C@H](O)OC(C)(C)C)C1 ZINC001149466566 1073098955 /nfs/dbraw/zinc/09/89/55/1073098955.db2.gz KFYOCKARDCNRJI-FMCFTNBYSA-N 1 3 436.557 -0.098 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=CNN3C=CNC=C23)[C@H](O)OC(C)(C)C)C1 ZINC001149466567 1073098683 /nfs/dbraw/zinc/09/86/83/1073098683.db2.gz KFYOCKARDCNRJI-JCTFZMBRSA-N 1 3 436.557 -0.098 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=CNN3C=CNC=C23)[C@@H](O)OC(C)(C)C)C1 ZINC001149466568 1073098982 /nfs/dbraw/zinc/09/89/82/1073098982.db2.gz KFYOCKARDCNRJI-JTVCPLHISA-N 1 3 436.557 -0.098 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=CNN3C=CNC=C23)[C@@H](O)OC(C)(C)C)C1 ZINC001149466569 1073098859 /nfs/dbraw/zinc/09/88/59/1073098859.db2.gz KFYOCKARDCNRJI-KZTUBPIMSA-N 1 3 436.557 -0.098 20 0 IBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N ZINC001157334867 1073161666 /nfs/dbraw/zinc/16/16/66/1073161666.db2.gz AKHCWPIMHLYPMC-QAETUUGQSA-N 1 3 440.589 -0.785 20 0 IBADHO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H]3C[NH2+]CC34CNC4)ccc12 ZINC001157364741 1073162123 /nfs/dbraw/zinc/16/21/23/1073162123.db2.gz HHXJXSZNLOQAQA-HNNXBMFYSA-N 1 3 427.461 -0.919 20 0 IBADHO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@H]3C[NH2+]CC34CNC4)ccc12 ZINC001157364742 1073162171 /nfs/dbraw/zinc/16/21/71/1073162171.db2.gz HHXJXSZNLOQAQA-OAHLLOKOSA-N 1 3 427.461 -0.919 20 0 IBADHO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)ccc12 ZINC001157364766 1073162178 /nfs/dbraw/zinc/16/21/78/1073162178.db2.gz IALLWXYWNYKZPN-JLCFBVMHSA-N 1 3 441.488 -0.529 20 0 IBADHO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H](N)C3CC[NH2+]CC3)ccc12 ZINC001157364971 1073162604 /nfs/dbraw/zinc/16/26/04/1073162604.db2.gz PEMGGXMZGBTEBP-FQEVSTJZSA-N 1 3 429.477 -0.401 20 0 IBADHO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@H](N)C3CC[NH2+]CC3)ccc12 ZINC001157364972 1073162615 /nfs/dbraw/zinc/16/26/15/1073162615.db2.gz PEMGGXMZGBTEBP-HXUWFJFHSA-N 1 3 429.477 -0.401 20 0 IBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C[C@@H]1C[NH2+]CCO1 ZINC001157721484 1073166267 /nfs/dbraw/zinc/16/62/67/1073166267.db2.gz YJCPMEJEVSEJGJ-BJLQDIEVSA-N 1 3 433.553 -0.740 20 0 IBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C[C@H]1C[NH2+]CCO1 ZINC001157721485 1073166279 /nfs/dbraw/zinc/16/62/79/1073166279.db2.gz YJCPMEJEVSEJGJ-HBFSDRIKSA-N 1 3 433.553 -0.740 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@@](F)(C[NH3+])CC1)C(=O)CF ZINC001157745149 1073166608 /nfs/dbraw/zinc/16/66/08/1073166608.db2.gz MQJNSZLIHPUMQC-CXIBIASBSA-N 1 3 447.527 -0.433 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@](F)(C[NH3+])CC1)C(=O)CF ZINC001157745157 1073166578 /nfs/dbraw/zinc/16/65/78/1073166578.db2.gz MQJNSZLIHPUMQC-FGTCXIJOSA-N 1 3 447.527 -0.433 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@@H](C[NH3+])[C@H]1C)C(=O)CF ZINC001157843089 1073167064 /nfs/dbraw/zinc/16/70/64/1073167064.db2.gz PFMLKDSVFGZMDE-DTFBLWLJSA-N 1 3 429.537 -0.526 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@H](C[NH3+])[C@@H]1C)C(=O)CF ZINC001157843090 1073167124 /nfs/dbraw/zinc/16/71/24/1073167124.db2.gz PFMLKDSVFGZMDE-GLRLOKQVSA-N 1 3 429.537 -0.526 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@H](C[NH3+])[C@H]1C)C(=O)CF ZINC001157843091 1073167105 /nfs/dbraw/zinc/16/71/05/1073167105.db2.gz PFMLKDSVFGZMDE-KIBLCYBISA-N 1 3 429.537 -0.526 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@@H](C[NH3+])[C@@H]1C)C(=O)CF ZINC001157843092 1073167086 /nfs/dbraw/zinc/16/70/86/1073167086.db2.gz PFMLKDSVFGZMDE-PQKJENKHSA-N 1 3 429.537 -0.526 20 0 IBADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158077857 1073170399 /nfs/dbraw/zinc/17/03/99/1073170399.db2.gz YLKODAIKGBNCHA-BZSNNMDCSA-N 1 3 437.585 -0.164 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC2(CC([NH3+])C2)CC1)C(=O)CF ZINC001158082777 1073170428 /nfs/dbraw/zinc/17/04/28/1073170428.db2.gz RDQXSVBEBQPSTB-YEWWUXTCSA-N 1 3 441.548 -0.382 20 0 IBADHO CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102663 1073170878 /nfs/dbraw/zinc/17/08/78/1073170878.db2.gz VBOSPXSPAJYUAI-VGOFRKELSA-N 1 3 426.521 -0.377 20 0 IBADHO CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102664 1073170871 /nfs/dbraw/zinc/17/08/71/1073170871.db2.gz VBOSPXSPAJYUAI-VGSWGCGISA-N 1 3 426.521 -0.377 20 0 IBADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120153 1073171637 /nfs/dbraw/zinc/17/16/37/1073171637.db2.gz JSWZFNIEUAEGCT-CKFHNAJUSA-N 1 3 443.639 -0.757 20 0 IBADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120154 1073171714 /nfs/dbraw/zinc/17/17/14/1073171714.db2.gz JSWZFNIEUAEGCT-NJSLBKSFSA-N 1 3 443.639 -0.757 20 0 IBADHO COc1ccc2c(C[C@H](N)C(=O)N3CC4(C[NH2+]C4)[C@@]4(CCNC4=O)C3)cc(=O)oc2c1 ZINC001158120639 1073172010 /nfs/dbraw/zinc/17/20/10/1073172010.db2.gz OZBKYTQMXBIATP-AOMKIAJQSA-N 1 3 426.473 -0.391 20 0 IBADHO COc1ccc2c(C[C@H](N)C(=O)N3CC4(C[NH2+]C4)[C@]4(CCNC4=O)C3)cc(=O)oc2c1 ZINC001158120641 1073172075 /nfs/dbraw/zinc/17/20/75/1073172075.db2.gz OZBKYTQMXBIATP-KSFYIVLOSA-N 1 3 426.473 -0.391 20 0 IBADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120698 1073172064 /nfs/dbraw/zinc/17/20/64/1073172064.db2.gz PMVUEVLCBVGCGS-KZDUYQQSSA-N 1 3 425.599 -0.464 20 0 IBADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120703 1073172025 /nfs/dbraw/zinc/17/20/25/1073172025.db2.gz PMVUEVLCBVGCGS-VPCSNGCSSA-N 1 3 425.599 -0.464 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@@]12CCC[NH2+]C2)C(=O)CF ZINC001158162273 1073172539 /nfs/dbraw/zinc/17/25/39/1073172539.db2.gz WKZPUNDDQANEQS-YAUSHBINSA-N 1 3 441.548 -0.368 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@]12CCC[NH2+]C2)C(=O)CF ZINC001158162274 1073172472 /nfs/dbraw/zinc/17/24/72/1073172472.db2.gz WKZPUNDDQANEQS-YYJDGNJWSA-N 1 3 441.548 -0.368 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC2(CCC[NH2+]2)CC1)C(=O)CF ZINC001158170234 1073172881 /nfs/dbraw/zinc/17/28/81/1073172881.db2.gz XOPJJZRRGPQBBO-MPGHIAIKSA-N 1 3 441.548 -0.368 20 0 IBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179380 1073172983 /nfs/dbraw/zinc/17/29/83/1073172983.db2.gz LHVWISILGCIYKY-HDAAZOAOSA-N 1 3 445.564 -0.740 20 0 IBADHO N[C@@H](CCC[NH3+])C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352915 1073175362 /nfs/dbraw/zinc/17/53/62/1073175362.db2.gz XASCQUPDZLSEIR-SPEDKVCISA-N 1 3 445.568 -0.553 20 0 IBADHO N[C@H](CCC[NH3+])C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352917 1073175357 /nfs/dbraw/zinc/17/53/57/1073175357.db2.gz XASCQUPDZLSEIR-SVMVAKDDSA-N 1 3 445.568 -0.553 20 0 IBADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)C2 ZINC001158384278 1073176423 /nfs/dbraw/zinc/17/64/23/1073176423.db2.gz RPEQJQIBVSWXFG-DJSGYFEHSA-N 1 3 439.456 -0.693 20 0 IBADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)C2 ZINC001158384279 1073176457 /nfs/dbraw/zinc/17/64/57/1073176457.db2.gz RPEQJQIBVSWXFG-PEYYIBSZSA-N 1 3 439.456 -0.693 20 0 IBADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)C2 ZINC001158384280 1073176525 /nfs/dbraw/zinc/17/65/25/1073176525.db2.gz RPEQJQIBVSWXFG-SGIREYDYSA-N 1 3 439.456 -0.693 20 0 IBADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)C2 ZINC001158384281 1073176507 /nfs/dbraw/zinc/17/65/07/1073176507.db2.gz RPEQJQIBVSWXFG-XFJVYGCCSA-N 1 3 439.456 -0.693 20 0 IBADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)C2 ZINC001158466887 1073177417 /nfs/dbraw/zinc/17/74/17/1073177417.db2.gz CUKUPXVDNNQMFZ-GQIGUUNPSA-N 1 3 439.578 -0.065 20 0 IBADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)C2 ZINC001158466890 1073177368 /nfs/dbraw/zinc/17/73/68/1073177368.db2.gz CUKUPXVDNNQMFZ-TWOQFEAHSA-N 1 3 439.578 -0.065 20 0 IBADHO CCOC(=O)C1CC[NH+](C2CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CC2)CC1 ZINC001158513709 1073177777 /nfs/dbraw/zinc/17/77/77/1073177777.db2.gz PYDKIAISLHNQDT-WMLDXEAASA-N 1 3 439.557 -0.650 20 0 IBADHO CN(C)C(=O)CN1CC[C@]2(CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@H]2c2ccccc2)C1=O ZINC001158626349 1073179025 /nfs/dbraw/zinc/17/90/25/1073179025.db2.gz LAZBQAACONLDPH-NPPFBWRTSA-N 1 3 447.605 -0.062 20 0 IBADHO CN(C)C(=O)CN1CC[C@]2(CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C[C@H]2c2ccccc2)C1=O ZINC001158626425 1073178909 /nfs/dbraw/zinc/17/89/09/1073178909.db2.gz ODSNCLJHPLREJY-AXHZCLLHSA-N 1 3 439.560 -0.272 20 0 IBADHO CN(C)C(=O)CN1CC[C@]2(CN(C(=O)[C@H]3C[NH2+]CC34CNC4)C[C@H]2c2ccccc2)C1=O ZINC001158626426 1073179038 /nfs/dbraw/zinc/17/90/38/1073179038.db2.gz ODSNCLJHPLREJY-YDIMBITNSA-N 1 3 439.560 -0.272 20 0 IBADHO O=C(COCc1nnn2c1CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CCC2)N1CCCC1 ZINC001158629147 1073179420 /nfs/dbraw/zinc/17/94/20/1073179420.db2.gz CYVNGLCRYWWRDJ-IIBYNOLFSA-N 1 3 431.541 -0.652 20 0 IBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158630653 1073180409 /nfs/dbraw/zinc/18/04/09/1073180409.db2.gz UJNIUANBQWJILD-AWEZNQCLSA-N 1 3 425.559 -0.831 20 0 IBADHO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158658110 1073182034 /nfs/dbraw/zinc/18/20/34/1073182034.db2.gz ILEISBLSWUVHCV-AWEZNQCLSA-N 1 3 431.497 -0.098 20 0 IBADHO CC(C)N(C(=O)[C@H](C)NC(=O)[C@H](C)N)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158883143 1073189756 /nfs/dbraw/zinc/18/97/56/1073189756.db2.gz GEVBLHLJFAYSJM-GJZGRUSLSA-N 1 3 433.557 -0.405 20 0 IBADHO CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H](N)CCCNC(=O)c1cnccn1)CC2 ZINC001158890181 1073190167 /nfs/dbraw/zinc/19/01/67/1073190167.db2.gz BDGFECQJRRWFNO-INIZCTEOSA-N 1 3 431.541 -0.483 20 0 IBADHO CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H](N)CCCNC(=O)c1cnccn1)CC2 ZINC001158890181 1073190164 /nfs/dbraw/zinc/19/01/64/1073190164.db2.gz BDGFECQJRRWFNO-INIZCTEOSA-N 1 3 431.541 -0.483 20 0 IBADHO CNC(=O)CN1CCCC12CCN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CC2 ZINC001158890412 1073190202 /nfs/dbraw/zinc/19/02/02/1073190202.db2.gz DGBHOUKOHKALJX-INIZCTEOSA-N 1 3 426.583 -0.396 20 0 IBADHO CNC(=O)CN1CCCC12CCN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CC2 ZINC001158890418 1073190116 /nfs/dbraw/zinc/19/01/16/1073190116.db2.gz DGBHOUKOHKALJX-MRXNPFEDSA-N 1 3 426.583 -0.396 20 0 IBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1)C(N)=O ZINC001158902200 1073190146 /nfs/dbraw/zinc/19/01/46/1073190146.db2.gz IRBBTQLHHFIIND-IFIYUWNVSA-N 1 3 436.488 -0.828 20 0 IBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1)C(N)=O ZINC001158902202 1073190206 /nfs/dbraw/zinc/19/02/06/1073190206.db2.gz IRBBTQLHHFIIND-UYVPSMGWSA-N 1 3 436.488 -0.828 20 0 IBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1)C(N)=O ZINC001158902203 1073190596 /nfs/dbraw/zinc/19/05/96/1073190596.db2.gz IRBBTQLHHFIIND-WWVJOHPTSA-N 1 3 436.488 -0.828 20 0 IBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1)C(N)=O ZINC001158902204 1073190685 /nfs/dbraw/zinc/19/06/85/1073190685.db2.gz IRBBTQLHHFIIND-ZEEWZRGFSA-N 1 3 436.488 -0.828 20 0 IBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158968312 1073193213 /nfs/dbraw/zinc/19/32/13/1073193213.db2.gz NISIZIJGYSLJBM-FJIDUMEYSA-N 1 3 431.541 -0.660 20 0 IBADHO O=C(NCCc1ccccn1)[C@H]1C[C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@@H]2O1 ZINC001158982104 1073194223 /nfs/dbraw/zinc/19/42/23/1073194223.db2.gz FFNAAXVXYUPVCD-JCLURXGMSA-N 1 3 427.549 -0.055 20 0 IBADHO CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]21 ZINC001159048960 1073195937 /nfs/dbraw/zinc/19/59/37/1073195937.db2.gz YXYCAGJKBYRSCV-ZSXDVEMLSA-N 1 3 437.585 -0.225 20 0 IBADHO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)CC2 ZINC001159074054 1073197017 /nfs/dbraw/zinc/19/70/17/1073197017.db2.gz HWSIXWSFAPOIOK-KRWDZBQOSA-N 1 3 429.569 -0.433 20 0 IBADHO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)CC2 ZINC001159074054 1073197013 /nfs/dbraw/zinc/19/70/13/1073197013.db2.gz HWSIXWSFAPOIOK-KRWDZBQOSA-N 1 3 429.569 -0.433 20 0 IBADHO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)CC2 ZINC001159074056 1073197041 /nfs/dbraw/zinc/19/70/41/1073197041.db2.gz HWSIXWSFAPOIOK-QGZVFWFLSA-N 1 3 429.569 -0.433 20 0 IBADHO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)CC2 ZINC001159074056 1073197036 /nfs/dbraw/zinc/19/70/36/1073197036.db2.gz HWSIXWSFAPOIOK-QGZVFWFLSA-N 1 3 429.569 -0.433 20 0 IBADHO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])cn1 ZINC001159084405 1073198816 /nfs/dbraw/zinc/19/88/16/1073198816.db2.gz KDXXTCXCJVZWGB-XLAORIBOSA-N 1 3 431.541 -0.426 20 0 IBADHO Cn1nnc2c1CCN(C(=O)[C@@H]1CNCc3ccnn3C1)[C@H]2COCC[NH+]1CCCC1 ZINC001159115901 1073199475 /nfs/dbraw/zinc/19/94/75/1073199475.db2.gz FETLPWHRBQSTEF-APWZRJJASA-N 1 3 428.541 -0.031 20 0 IBADHO Cn1nnc2c1CCN(C(=O)[C@H]1CNCc3ccnn3C1)[C@H]2COCC[NH+]1CCCC1 ZINC001159115902 1073199491 /nfs/dbraw/zinc/19/94/91/1073199491.db2.gz FETLPWHRBQSTEF-LPHOPBHVSA-N 1 3 428.541 -0.031 20 0 IBADHO Cn1nnc2c1CCN(C(=O)[C@H]1CNCc3ccnn3C1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159115903 1073199426 /nfs/dbraw/zinc/19/94/26/1073199426.db2.gz FETLPWHRBQSTEF-QFBILLFUSA-N 1 3 428.541 -0.031 20 0 IBADHO Cn1nnc2c1CCN(C(=O)[C@@H]1CNCc3ccnn3C1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159115904 1073199467 /nfs/dbraw/zinc/19/94/67/1073199467.db2.gz FETLPWHRBQSTEF-VQIMIIECSA-N 1 3 428.541 -0.031 20 0 IBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001159123293 1073199946 /nfs/dbraw/zinc/19/99/46/1073199946.db2.gz GSXOJCAAJYHAAY-FUHWJXTLSA-N 1 3 435.573 -0.157 20 0 IBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001159123294 1073199896 /nfs/dbraw/zinc/19/98/96/1073199896.db2.gz GSXOJCAAJYHAAY-WMZOPIPTSA-N 1 3 435.573 -0.157 20 0 IBADHO Cn1nnc2c1CCN(C(=O)CN1CCCC[C@H](N)C1=O)[C@@H]2COCC[NH+]1CCCC1 ZINC001159123553 1073199995 /nfs/dbraw/zinc/19/99/95/1073199995.db2.gz JLPHIOCPDBTLDC-FUHWJXTLSA-N 1 3 433.557 -0.307 20 0 IBADHO Cn1nnc2c1CCN(C(=O)CN1CCCC[C@H](N)C1=O)[C@H]2COCC[NH+]1CCCC1 ZINC001159123555 1073199854 /nfs/dbraw/zinc/19/98/54/1073199854.db2.gz JLPHIOCPDBTLDC-WMZOPIPTSA-N 1 3 433.557 -0.307 20 0 IBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001159124678 1073200244 /nfs/dbraw/zinc/20/02/44/1073200244.db2.gz PPWLZDDNHGEURP-IEZWGBDMSA-N 1 3 435.573 -0.157 20 0 IBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001159124679 1073200479 /nfs/dbraw/zinc/20/04/79/1073200479.db2.gz PPWLZDDNHGEURP-WDYCEAGBSA-N 1 3 435.573 -0.157 20 0 IBADHO CC(=O)NCCCC[C@H](N)C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001159125340 1073200893 /nfs/dbraw/zinc/20/08/93/1073200893.db2.gz UZGLYXRQDUDBKL-HKUYNNGSSA-N 1 3 435.573 -0.013 20 0 IBADHO CC(=O)NCCCC[C@H](N)C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001159125341 1073200867 /nfs/dbraw/zinc/20/08/67/1073200867.db2.gz UZGLYXRQDUDBKL-PKOBYXMFSA-N 1 3 435.573 -0.013 20 0 IBADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001159159144 1073201894 /nfs/dbraw/zinc/20/18/94/1073201894.db2.gz XEQBYGXQOBBIHB-HCXYKTFWSA-N 1 3 448.593 -0.244 20 0 IBADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001159159144 1073201888 /nfs/dbraw/zinc/20/18/88/1073201888.db2.gz XEQBYGXQOBBIHB-HCXYKTFWSA-N 1 3 448.593 -0.244 20 0 IBADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001159159145 1073201826 /nfs/dbraw/zinc/20/18/26/1073201826.db2.gz XEQBYGXQOBBIHB-XWSJACJDSA-N 1 3 448.593 -0.244 20 0 IBADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001159159145 1073201822 /nfs/dbraw/zinc/20/18/22/1073201822.db2.gz XEQBYGXQOBBIHB-XWSJACJDSA-N 1 3 448.593 -0.244 20 0 IBADHO CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CCC2 ZINC001159173304 1073202464 /nfs/dbraw/zinc/20/24/64/1073202464.db2.gz SFYXLNJLLMWAGP-OPAMFIHVSA-N 1 3 430.553 -0.163 20 0 IBADHO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H](N)CCCC[NH3+])CC3)C1=O ZINC001159190494 1073204666 /nfs/dbraw/zinc/20/46/66/1073204666.db2.gz KQRJNHWIBNWLLN-HNAYVOBHSA-N 1 3 429.587 -0.825 20 0 IBADHO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H](N)CCCC[NH3+])CC3)C1=O ZINC001159190518 1073204621 /nfs/dbraw/zinc/20/46/21/1073204621.db2.gz KQRJNHWIBNWLLN-KXBFYZLASA-N 1 3 429.587 -0.825 20 0 IBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)COC1(C)C ZINC001159191599 1073205494 /nfs/dbraw/zinc/20/54/94/1073205494.db2.gz IQZWXHYHQMBECN-JSGCOSHPSA-N 1 3 436.513 -0.839 20 0 IBADHO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC3)C1=O ZINC001159191889 1073205487 /nfs/dbraw/zinc/20/54/87/1073205487.db2.gz ZLCCDYCHZFPLNV-JXFKEZNVSA-N 1 3 441.598 -0.954 20 0 IBADHO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC3)C1=O ZINC001159191892 1073205474 /nfs/dbraw/zinc/20/54/74/1073205474.db2.gz ZLCCDYCHZFPLNV-OXJNMPFZSA-N 1 3 441.598 -0.954 20 0 IBADHO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC3)C1=O ZINC001159191894 1073205498 /nfs/dbraw/zinc/20/54/98/1073205498.db2.gz ZLCCDYCHZFPLNV-OXQOHEQNSA-N 1 3 441.598 -0.954 20 0 IBADHO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC3)C1=O ZINC001159191895 1073205480 /nfs/dbraw/zinc/20/54/80/1073205480.db2.gz ZLCCDYCHZFPLNV-UZLBHIALSA-N 1 3 441.598 -0.954 20 0 IBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1)C(N)=O ZINC001159234006 1073207604 /nfs/dbraw/zinc/20/76/04/1073207604.db2.gz DIPUIBDIPYKJLI-GOEBONIOSA-N 1 3 442.524 -0.946 20 0 IBADHO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])cn1 ZINC001159236119 1073207695 /nfs/dbraw/zinc/20/76/95/1073207695.db2.gz LOWGGWMCEZUQDB-OKYOBFRVSA-N 1 3 445.568 -0.317 20 0 IBADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159237342 1073208004 /nfs/dbraw/zinc/20/80/04/1073208004.db2.gz ZBYPLKFRNRMXIJ-INIZCTEOSA-N 1 3 430.534 -0.266 20 0 IBADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159237347 1073208166 /nfs/dbraw/zinc/20/81/66/1073208166.db2.gz ZBYPLKFRNRMXIJ-MRXNPFEDSA-N 1 3 430.534 -0.266 20 0 IBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159271180 1073208079 /nfs/dbraw/zinc/20/80/79/1073208079.db2.gz ALHHCSDUTCOCIE-FJIDUMEYSA-N 1 3 431.541 -0.660 20 0 IBADHO Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@@H]4CCCN4C(=O)[C@@H](N)CCCC[NH3+])C[C@H]32)nn1 ZINC001159298184 1073209094 /nfs/dbraw/zinc/20/90/94/1073209094.db2.gz QNPAOUCWMHYUBU-OKYOBFRVSA-N 1 3 445.568 -0.352 20 0 IBADHO Cc1cccc(N(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159348855 1073209868 /nfs/dbraw/zinc/20/98/68/1073209868.db2.gz DUSDAUSQVDWCBY-BREDGVMVSA-N 1 3 431.537 -0.053 20 0 IBADHO Cc1cccc(N(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159348859 1073209935 /nfs/dbraw/zinc/20/99/35/1073209935.db2.gz DUSDAUSQVDWCBY-CTWQGKMFSA-N 1 3 431.537 -0.053 20 0 IBADHO Cc1cccc(N(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159348861 1073210028 /nfs/dbraw/zinc/21/00/28/1073210028.db2.gz DUSDAUSQVDWCBY-FCQWJQKHSA-N 1 3 431.537 -0.053 20 0 IBADHO Cc1cccc(N(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159348863 1073209927 /nfs/dbraw/zinc/20/99/27/1073209927.db2.gz DUSDAUSQVDWCBY-VXCZRNDOSA-N 1 3 431.537 -0.053 20 0 IBADHO O=C(c1[nH]nc2c1CNCC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393391 1073210979 /nfs/dbraw/zinc/21/09/79/1073210979.db2.gz FACZITJIWFYLGH-GOEBONIOSA-N 1 3 443.533 -0.765 20 0 IBADHO NCc1ccc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)cn1 ZINC001159393633 1073211076 /nfs/dbraw/zinc/21/10/76/1073211076.db2.gz GKZFQGMDYAJRBG-DLBZAZTESA-N 1 3 428.518 -0.280 20 0 IBADHO CO[C@@H]1CCN[C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159394448 1073211483 /nfs/dbraw/zinc/21/14/83/1073211483.db2.gz NQTNWKYETUVYRN-LTIDMASMSA-N 1 3 435.550 -0.415 20 0 IBADHO CO[C@H]1CCN[C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159394451 1073211320 /nfs/dbraw/zinc/21/13/20/1073211320.db2.gz NQTNWKYETUVYRN-LUKYLMHMSA-N 1 3 435.550 -0.415 20 0 IBADHO CO[C@H]1CCN[C@@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159394454 1073211337 /nfs/dbraw/zinc/21/13/37/1073211337.db2.gz NQTNWKYETUVYRN-MWDXBVQZSA-N 1 3 435.550 -0.415 20 0 IBADHO CO[C@@H]1CCN[C@@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159394457 1073211853 /nfs/dbraw/zinc/21/18/53/1073211853.db2.gz NQTNWKYETUVYRN-YYIAUSFCSA-N 1 3 435.550 -0.415 20 0 IBADHO O=C(c1[nH]nc2c1CCNC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394736 1073212030 /nfs/dbraw/zinc/21/20/30/1073212030.db2.gz QAQGJUGCCWJUTA-GOEBONIOSA-N 1 3 443.533 -0.765 20 0 IBADHO N[C@H](Cc1cnc[nH]1)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395028 1073211998 /nfs/dbraw/zinc/21/19/98/1073211998.db2.gz ULOWTCQXBJUZDF-ARFHVFGLSA-N 1 3 431.522 -0.889 20 0 IBADHO N[C@@H](Cc1cnc[nH]1)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395032 1073211912 /nfs/dbraw/zinc/21/19/12/1073211912.db2.gz ULOWTCQXBJUZDF-HRCADAONSA-N 1 3 431.522 -0.889 20 0 IBADHO O=C(c1[nH]nc2c1CNC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395285 1073212275 /nfs/dbraw/zinc/21/22/75/1073212275.db2.gz WIMXLSSPMPESGP-DZGCQCFKSA-N 1 3 429.506 -0.808 20 0 IBADHO CCN1C[C@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])CC[C@H]2S1(=O)=O ZINC001159403391 1073213249 /nfs/dbraw/zinc/21/32/49/1073213249.db2.gz JNARIFSRDOKTFC-VSZNYVQBSA-N 1 3 443.614 -0.294 20 0 IBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)COC1(C)C ZINC001159403596 1073213278 /nfs/dbraw/zinc/21/32/78/1073213278.db2.gz PWRKODOJBYNQGF-QUSNUVHPSA-N 1 3 432.525 -0.255 20 0 IBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001159411830 1073213760 /nfs/dbraw/zinc/21/37/60/1073213760.db2.gz KIAUKTUZYZSNEY-YJBOKZPZSA-N 1 3 430.553 -0.008 20 0 IBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001159411830 1073213755 /nfs/dbraw/zinc/21/37/55/1073213755.db2.gz KIAUKTUZYZSNEY-YJBOKZPZSA-N 1 3 430.553 -0.008 20 0 IBADHO CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2CN(C)CC4(CC[NH2+]CC4)O2)CC3)CC1 ZINC001159417176 1073213720 /nfs/dbraw/zinc/21/37/20/1073213720.db2.gz LQONEWJQCPIGQO-IBGZPJMESA-N 1 3 431.585 -0.575 20 0 IBADHO CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2CN(C)CC4(CC[NH2+]CC4)O2)CC3)CC1 ZINC001159417177 1073213690 /nfs/dbraw/zinc/21/36/90/1073213690.db2.gz LQONEWJQCPIGQO-LJQANCHMSA-N 1 3 431.585 -0.575 20 0 IBADHO C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)CC3)CC1 ZINC001159425395 1073214217 /nfs/dbraw/zinc/21/42/17/1073214217.db2.gz QRZJVKJVEHADFX-KRWDZBQOSA-N 1 3 435.573 -0.769 20 0 IBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459132 1073217605 /nfs/dbraw/zinc/21/76/05/1073217605.db2.gz WBOFYBKEQSCMPI-XWTMOSNGSA-N 1 3 444.598 -0.834 20 0 IBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459133 1073217773 /nfs/dbraw/zinc/21/77/73/1073217773.db2.gz WBOFYBKEQSCMPI-ZJPYXAASSA-N 1 3 444.598 -0.834 20 0 IBADHO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)CCC2 ZINC001159481006 1073218238 /nfs/dbraw/zinc/21/82/38/1073218238.db2.gz GZHZVNYCJXFEQN-INIZCTEOSA-N 1 3 437.566 -0.408 20 0 IBADHO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)CCC2 ZINC001159481006 1073218236 /nfs/dbraw/zinc/21/82/36/1073218236.db2.gz GZHZVNYCJXFEQN-INIZCTEOSA-N 1 3 437.566 -0.408 20 0 IBADHO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)CCC2 ZINC001159481009 1073218170 /nfs/dbraw/zinc/21/81/70/1073218170.db2.gz GZHZVNYCJXFEQN-MRXNPFEDSA-N 1 3 437.566 -0.408 20 0 IBADHO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)CCC2 ZINC001159481009 1073218159 /nfs/dbraw/zinc/21/81/59/1073218159.db2.gz GZHZVNYCJXFEQN-MRXNPFEDSA-N 1 3 437.566 -0.408 20 0 IBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159493848 1073219555 /nfs/dbraw/zinc/21/95/55/1073219555.db2.gz RXKXSARGWUZADD-RDJZCZTQSA-N 1 3 447.540 -0.828 20 0 IBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159514964 1073219887 /nfs/dbraw/zinc/21/98/87/1073219887.db2.gz MOFJQKYSKILCII-WMZOPIPTSA-N 1 3 443.556 -0.298 20 0 IBADHO CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001159519061 1073219846 /nfs/dbraw/zinc/21/98/46/1073219846.db2.gz CPFLRGMPQGNNNQ-IRXDYDNUSA-N 1 3 448.572 -0.564 20 0 IBADHO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001159530170 1073221609 /nfs/dbraw/zinc/22/16/09/1073221609.db2.gz SDXKVHHSFDNSCS-JBYIUTFZSA-N 1 3 432.569 -0.606 20 0 IBADHO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001159530171 1073221434 /nfs/dbraw/zinc/22/14/34/1073221434.db2.gz SDXKVHHSFDNSCS-NJNPRVFISA-N 1 3 432.569 -0.606 20 0 IBADHO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001159530905 1073221936 /nfs/dbraw/zinc/22/19/36/1073221936.db2.gz YVCSAUIBNLITFG-CVEARBPZSA-N 1 3 426.587 -0.786 20 0 IBADHO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001159530906 1073222006 /nfs/dbraw/zinc/22/20/06/1073222006.db2.gz YVCSAUIBNLITFG-HOTGVXAUSA-N 1 3 426.587 -0.786 20 0 IBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159534251 1073222458 /nfs/dbraw/zinc/22/24/58/1073222458.db2.gz NYILGBADIWADPA-GHDARCQNSA-N 1 3 446.573 -0.578 20 0 IBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159534252 1073222471 /nfs/dbraw/zinc/22/24/71/1073222471.db2.gz NYILGBADIWADPA-IWQHBPENSA-N 1 3 446.573 -0.578 20 0 IBADHO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CC[C@@H]21 ZINC001159534751 1073223051 /nfs/dbraw/zinc/22/30/51/1073223051.db2.gz QHUDWIDEMJLJSU-APAFKAMOSA-N 1 3 447.584 -0.320 20 0 IBADHO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CC[C@@H]21 ZINC001159534751 1073223045 /nfs/dbraw/zinc/22/30/45/1073223045.db2.gz QHUDWIDEMJLJSU-APAFKAMOSA-N 1 3 447.584 -0.320 20 0 IBADHO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC[C@@H]21 ZINC001159535701 1073222837 /nfs/dbraw/zinc/22/28/37/1073222837.db2.gz ZURZBOKZKWNQCC-ADHGMGHFSA-N 1 3 433.557 -0.710 20 0 IBADHO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC[C@@H]21 ZINC001159535701 1073222829 /nfs/dbraw/zinc/22/28/29/1073222829.db2.gz ZURZBOKZKWNQCC-ADHGMGHFSA-N 1 3 433.557 -0.710 20 0 IBADHO N[C@H](C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2)C1CC[NH2+]CC1 ZINC001159541413 1073223321 /nfs/dbraw/zinc/22/33/21/1073223321.db2.gz XBZUANQNECPVMF-AQCRLBJHSA-N 1 3 448.589 -0.060 20 0 IBADHO N[C@@H](C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2)C1CC[NH2+]CC1 ZINC001159541416 1073223372 /nfs/dbraw/zinc/22/33/72/1073223372.db2.gz XBZUANQNECPVMF-DYQZNNLLSA-N 1 3 448.589 -0.060 20 0 IBADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)N(c1nc(N2CCCC2)nc2c1CNCC2)C1CC1 ZINC001159583304 1073224347 /nfs/dbraw/zinc/22/43/47/1073224347.db2.gz RGTREOBTUXCJQP-GOSISDBHSA-N 1 3 428.585 -0.032 20 0 IBADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N(c1nc(N2CCCC2)nc2c1CNCC2)C1CC1 ZINC001159583305 1073224297 /nfs/dbraw/zinc/22/42/97/1073224297.db2.gz RGTREOBTUXCJQP-SFHVURJKSA-N 1 3 428.585 -0.032 20 0 IBADHO O=C(N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001159593351 1073224343 /nfs/dbraw/zinc/22/43/43/1073224343.db2.gz DIDPLBCUJBVBDF-IAVZTARUSA-N 1 3 447.561 -0.835 20 0 IBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159598999 1073225034 /nfs/dbraw/zinc/22/50/34/1073225034.db2.gz JGMKCUCHVLHXKL-MTHXSQLBSA-N 1 3 435.569 -0.424 20 0 IBADHO N[C@H](C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2)C1CC[NH2+]CC1 ZINC001159601056 1073225544 /nfs/dbraw/zinc/22/55/44/1073225544.db2.gz YOVSFPORDBJNMC-LXZJYRNTSA-N 1 3 435.550 -0.708 20 0 IBADHO N[C@@H](C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2)C1CC[NH2+]CC1 ZINC001159601059 1073225485 /nfs/dbraw/zinc/22/54/85/1073225485.db2.gz YOVSFPORDBJNMC-RMJJICAUSA-N 1 3 435.550 -0.708 20 0 IBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001159610549 1073226448 /nfs/dbraw/zinc/22/64/48/1073226448.db2.gz PTSZLNVKQCMECX-ROUUACIJSA-N 1 3 438.617 -0.439 20 0 IBADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H](N)Cc1ccc(C(N)=O)cc1)CC2 ZINC001159610890 1073226430 /nfs/dbraw/zinc/22/64/30/1073226430.db2.gz UHDQHCDFZGTYOV-IBGZPJMESA-N 1 3 444.580 -0.648 20 0 IBADHO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)CC2 ZINC001159621360 1073226324 /nfs/dbraw/zinc/22/63/24/1073226324.db2.gz AMXQPHUDVXIVTH-DOTOQJQBSA-N 1 3 426.583 -0.383 20 0 IBADHO COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)CC2 ZINC001159621361 1073226882 /nfs/dbraw/zinc/22/68/82/1073226882.db2.gz AMXQPHUDVXIVTH-NVXWUHKLSA-N 1 3 426.583 -0.383 20 0 IBADHO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CC2 ZINC001159621362 1073226778 /nfs/dbraw/zinc/22/67/78/1073226778.db2.gz AMXQPHUDVXIVTH-RDJZCZTQSA-N 1 3 426.583 -0.383 20 0 IBADHO COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CC2 ZINC001159621363 1073226918 /nfs/dbraw/zinc/22/69/18/1073226918.db2.gz AMXQPHUDVXIVTH-WBVHZDCISA-N 1 3 426.583 -0.383 20 0 IBADHO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001159623469 1073227207 /nfs/dbraw/zinc/22/72/07/1073227207.db2.gz SNVKGQAVBZNJQI-HOCLYGCPSA-N 1 3 434.628 -0.173 20 0 IBADHO COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001159623470 1073227323 /nfs/dbraw/zinc/22/73/23/1073227323.db2.gz SNVKGQAVBZNJQI-ZBFHGGJFSA-N 1 3 434.628 -0.173 20 0 IBADHO COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H](N)CCCNC(=O)c3cnccn3)CC[C@@H]2C1 ZINC001159635600 1073228183 /nfs/dbraw/zinc/22/81/83/1073228183.db2.gz PFNCPSXZNQEROB-ZIFCJYIRSA-N 1 3 434.541 -0.490 20 0 IBADHO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H](N)CCCNC(=O)c3cnccn3)CC[C@@H]2C1 ZINC001159635600 1073228176 /nfs/dbraw/zinc/22/81/76/1073228176.db2.gz PFNCPSXZNQEROB-ZIFCJYIRSA-N 1 3 434.541 -0.490 20 0 IBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159642418 1073228603 /nfs/dbraw/zinc/22/86/03/1073228603.db2.gz FYGNZSOALQJOIA-OALUTQOASA-N 1 3 442.568 -0.040 20 0 IBADHO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001159644883 1073229007 /nfs/dbraw/zinc/22/90/07/1073229007.db2.gz WYMPJDPWZALDFH-VOQZNFBZSA-N 1 3 426.521 -0.553 20 0 IBADHO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001159644884 1073228988 /nfs/dbraw/zinc/22/89/88/1073228988.db2.gz WYMPJDPWZALDFH-ZPMCFJSWSA-N 1 3 426.521 -0.553 20 0 IBADHO O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664536 1073230339 /nfs/dbraw/zinc/23/03/39/1073230339.db2.gz FSVMKFCRSVTUQN-FHWLQOOXSA-N 1 3 438.536 -0.179 20 0 IBADHO O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664538 1073230290 /nfs/dbraw/zinc/23/02/90/1073230290.db2.gz FSVMKFCRSVTUQN-OTWHNJEPSA-N 1 3 438.536 -0.179 20 0 IBADHO O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664540 1073230428 /nfs/dbraw/zinc/23/04/28/1073230428.db2.gz FSVMKFCRSVTUQN-QRVBRYPASA-N 1 3 438.536 -0.179 20 0 IBADHO O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664543 1073230268 /nfs/dbraw/zinc/23/02/68/1073230268.db2.gz FSVMKFCRSVTUQN-QYZOEREBSA-N 1 3 438.536 -0.179 20 0 IBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001159748123 1073232817 /nfs/dbraw/zinc/23/28/17/1073232817.db2.gz ZYURZBQLBBUNKX-PABYOWBDSA-N 1 3 449.596 -0.033 20 0 IBADHO Cn1cc(N2C[C@]3(CCN(C(=O)[C@@H]4CCCN4C(=O)[C@@H](N)CCCC[NH3+])C3)CC2=O)cn1 ZINC001159752104 1073233328 /nfs/dbraw/zinc/23/33/28/1073233328.db2.gz WCSAPNQAPMJMPI-NPPFBWRTSA-N 1 3 445.568 -0.177 20 0 IBADHO Cn1cc(N2C[C@@]3(CCN(C(=O)[C@@H]4CCCN4C(=O)[C@@H](N)CCCC[NH3+])C3)CC2=O)cn1 ZINC001159752106 1073233288 /nfs/dbraw/zinc/23/32/88/1073233288.db2.gz WCSAPNQAPMJMPI-SPEDKVCISA-N 1 3 445.568 -0.177 20 0 IBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159769395 1073234326 /nfs/dbraw/zinc/23/43/26/1073234326.db2.gz KBVMJOIYQJQNFD-QTMHVTGLSA-N 1 3 435.569 -0.282 20 0 IBADHO O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CCC2)c1ccco1 ZINC001159790216 1073234272 /nfs/dbraw/zinc/23/42/72/1073234272.db2.gz AHPNFFQTYPQLQD-IVZQSRNASA-N 1 3 440.504 -0.302 20 0 IBADHO O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CCC2)c1ccco1 ZINC001159790236 1073234288 /nfs/dbraw/zinc/23/42/88/1073234288.db2.gz ASINOIWIMXPUIY-HNNXBMFYSA-N 1 3 426.477 -0.692 20 0 IBADHO O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@H]1C[NH2+]CC13CNC3)CCC2)c1ccco1 ZINC001159790237 1073234308 /nfs/dbraw/zinc/23/43/08/1073234308.db2.gz ASINOIWIMXPUIY-OAHLLOKOSA-N 1 3 426.477 -0.692 20 0 IBADHO N[C@H](C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1)C1CC[NH2+]CC1 ZINC001159790629 1073234902 /nfs/dbraw/zinc/23/49/02/1073234902.db2.gz IZWKXZPMDGHCRI-IBGZPJMESA-N 1 3 428.493 -0.175 20 0 IBADHO N[C@@H](C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1)C1CC[NH2+]CC1 ZINC001159790630 1073234908 /nfs/dbraw/zinc/23/49/08/1073234908.db2.gz IZWKXZPMDGHCRI-LJQANCHMSA-N 1 3 428.493 -0.175 20 0 IBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790736 1073234797 /nfs/dbraw/zinc/23/47/97/1073234797.db2.gz MDBSKBUKNISGCH-AWEZNQCLSA-N 1 3 434.522 -0.482 20 0 IBADHO CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])[C@H]2C1 ZINC001160000031 1073240847 /nfs/dbraw/zinc/24/08/47/1073240847.db2.gz XFZDDEJALAGLJZ-QZWWFDLISA-N 1 3 429.587 -0.684 20 0 IBADHO Cc1ccc(N(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160052919 1073241747 /nfs/dbraw/zinc/24/17/47/1073241747.db2.gz PZJRFBMFSDMHJR-BXWFABGCSA-N 1 3 435.550 -0.194 20 0 IBADHO Cc1ccc(N(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160052922 1073241826 /nfs/dbraw/zinc/24/18/26/1073241826.db2.gz PZJRFBMFSDMHJR-GJYPPUQNSA-N 1 3 435.550 -0.194 20 0 IBADHO Cc1ccc(N(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160052925 1073242317 /nfs/dbraw/zinc/24/23/17/1073242317.db2.gz PZJRFBMFSDMHJR-JTDSTZFVSA-N 1 3 435.550 -0.194 20 0 IBADHO Cc1ccc(N(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160052927 1073242302 /nfs/dbraw/zinc/24/23/02/1073242302.db2.gz PZJRFBMFSDMHJR-TXPKVOOTSA-N 1 3 435.550 -0.194 20 0 IBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1)C(N)=O ZINC001160053226 1073242404 /nfs/dbraw/zinc/24/24/04/1073242404.db2.gz QEJPEXXUZHUPLV-FUHWJXTLSA-N 1 3 430.553 -0.006 20 0 IBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1)C(N)=O ZINC001160053226 1073242397 /nfs/dbraw/zinc/24/23/97/1073242397.db2.gz QEJPEXXUZHUPLV-FUHWJXTLSA-N 1 3 430.553 -0.006 20 0 IBADHO Cc1ccc(N(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059668 1073242286 /nfs/dbraw/zinc/24/22/86/1073242286.db2.gz QUVORHTVCYLIFE-CMBDLQSPSA-N 1 3 447.540 -0.873 20 0 IBADHO Cc1ccc(N(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059669 1073242363 /nfs/dbraw/zinc/24/23/63/1073242363.db2.gz QUVORHTVCYLIFE-GXYOHSSGSA-N 1 3 447.540 -0.873 20 0 IBADHO Cc1ccc(N(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059670 1073242351 /nfs/dbraw/zinc/24/23/51/1073242351.db2.gz QUVORHTVCYLIFE-IWLLQYOYSA-N 1 3 447.540 -0.873 20 0 IBADHO Cc1ccc(N(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059671 1073242958 /nfs/dbraw/zinc/24/29/58/1073242958.db2.gz QUVORHTVCYLIFE-YJPQMCDFSA-N 1 3 447.540 -0.873 20 0 IBADHO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@@H]4CCC5(CCNCC5)[NH2+]4)CC[C@@H]32)cn1 ZINC001160078005 1073242913 /nfs/dbraw/zinc/24/29/13/1073242913.db2.gz KZYWYTQLBTYVBB-CADBVGFASA-N 1 3 430.553 -0.112 20 0 IBADHO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@@H]4CCC5(CC[NH2+]CC5)N4)CC[C@@H]32)cn1 ZINC001160078005 1073242908 /nfs/dbraw/zinc/24/29/08/1073242908.db2.gz KZYWYTQLBTYVBB-CADBVGFASA-N 1 3 430.553 -0.112 20 0 IBADHO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@H]4CCC5(CCNCC5)[NH2+]4)CC[C@@H]32)cn1 ZINC001160078006 1073242700 /nfs/dbraw/zinc/24/27/00/1073242700.db2.gz KZYWYTQLBTYVBB-INDMIFKZSA-N 1 3 430.553 -0.112 20 0 IBADHO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@H]4CCC5(CC[NH2+]CC5)N4)CC[C@@H]32)cn1 ZINC001160078006 1073242690 /nfs/dbraw/zinc/24/26/90/1073242690.db2.gz KZYWYTQLBTYVBB-INDMIFKZSA-N 1 3 430.553 -0.112 20 0 IBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)C(N)=O ZINC001160139009 1073248315 /nfs/dbraw/zinc/24/83/15/1073248315.db2.gz SFZGMFGZUWZQQG-DBDOFBCQSA-N 1 3 432.525 -0.721 20 0 IBADHO Cc1ccc(N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160171018 1073248175 /nfs/dbraw/zinc/24/81/75/1073248175.db2.gz FFSSFCWEPXFOSU-KSSFIOAISA-N 1 3 439.520 -0.155 20 0 IBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160193595 1073249687 /nfs/dbraw/zinc/24/96/87/1073249687.db2.gz PCTWOLBOJZSSOQ-IRXDYDNUSA-N 1 3 443.556 -0.298 20 0 IBADHO Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H]4CCCN4C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]3C2=O)cn1 ZINC001160216701 1073250565 /nfs/dbraw/zinc/25/05/65/1073250565.db2.gz GBTANBAVNWAVNI-DKIMLUQUSA-N 1 3 431.541 -0.711 20 0 IBADHO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])[C@@H]2C1 ZINC001160296140 1073252850 /nfs/dbraw/zinc/25/28/50/1073252850.db2.gz YINJUTDKFIAQLF-LTFXXXRZSA-N 1 3 437.585 -0.036 20 0 IBADHO CC(=O)NCc1ncn2c1CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])CCC2 ZINC001160322551 1073253607 /nfs/dbraw/zinc/25/36/07/1073253607.db2.gz CULCHFYMDZMROM-WMZOPIPTSA-N 1 3 433.557 -0.301 20 0 IBADHO C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)CCC2 ZINC001160372699 1073256339 /nfs/dbraw/zinc/25/63/39/1073256339.db2.gz SAAPULOLPQHYPM-HNNXBMFYSA-N 1 3 425.555 -0.530 20 0 IBADHO C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)CCC2 ZINC001160372702 1073256425 /nfs/dbraw/zinc/25/64/25/1073256425.db2.gz SAAPULOLPQHYPM-OAHLLOKOSA-N 1 3 425.555 -0.530 20 0 IBADHO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H]1CCCN(C3CC[NH2+]CC3)C1)C2 ZINC001160381499 1073256784 /nfs/dbraw/zinc/25/67/84/1073256784.db2.gz VWRMTTIMQCIBHD-INIZCTEOSA-N 1 3 433.557 -0.311 20 0 IBADHO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]1CCCN(C3CC[NH2+]CC3)C1)C2 ZINC001160381500 1073256809 /nfs/dbraw/zinc/25/68/09/1073256809.db2.gz VWRMTTIMQCIBHD-MRXNPFEDSA-N 1 3 433.557 -0.311 20 0 IBADHO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)CC1 ZINC001160390643 1073257346 /nfs/dbraw/zinc/25/73/46/1073257346.db2.gz DLYLKHMOEFGTQM-INIZCTEOSA-N 1 3 425.574 -0.210 20 0 IBADHO CN(C)C(=O)CN1CCC2(CCCN2C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)CC1 ZINC001160390643 1073257340 /nfs/dbraw/zinc/25/73/40/1073257340.db2.gz DLYLKHMOEFGTQM-INIZCTEOSA-N 1 3 425.574 -0.210 20 0 IBADHO O=C(NCCc1ccncc1)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C[C@H]21 ZINC001160400950 1073258330 /nfs/dbraw/zinc/25/83/30/1073258330.db2.gz FOCMVDZTEOBNPA-FUMNGEBKSA-N 1 3 427.549 -0.197 20 0 IBADHO O=C(NCCc1ccncc1)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CC34CNC4)C[C@H]21 ZINC001160400951 1073258430 /nfs/dbraw/zinc/25/84/30/1073258430.db2.gz FOCMVDZTEOBNPA-IYWMVGAKSA-N 1 3 427.549 -0.197 20 0 IBADHO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)CC2 ZINC001160403588 1073259219 /nfs/dbraw/zinc/25/92/19/1073259219.db2.gz BOFNGTHFZRIGSY-KRWDZBQOSA-N 1 3 440.552 -0.195 20 0 IBADHO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)CC2 ZINC001160403588 1073259214 /nfs/dbraw/zinc/25/92/14/1073259214.db2.gz BOFNGTHFZRIGSY-KRWDZBQOSA-N 1 3 440.552 -0.195 20 0 IBADHO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)CC2 ZINC001160403590 1073259139 /nfs/dbraw/zinc/25/91/39/1073259139.db2.gz BOFNGTHFZRIGSY-QGZVFWFLSA-N 1 3 440.552 -0.195 20 0 IBADHO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)CC2 ZINC001160403590 1073259136 /nfs/dbraw/zinc/25/91/36/1073259136.db2.gz BOFNGTHFZRIGSY-QGZVFWFLSA-N 1 3 440.552 -0.195 20 0 IBADHO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001160404507 1073259112 /nfs/dbraw/zinc/25/91/12/1073259112.db2.gz OHLDSWMBFPLWQF-QVKFZJNVSA-N 1 3 426.525 -0.870 20 0 IBADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160404903 1073259644 /nfs/dbraw/zinc/25/96/44/1073259644.db2.gz DICCNUSYLHJTOO-AWEZNQCLSA-N 1 3 431.522 -0.524 20 0 IBADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160404905 1073259621 /nfs/dbraw/zinc/25/96/21/1073259621.db2.gz DICCNUSYLHJTOO-CQSZACIVSA-N 1 3 431.522 -0.524 20 0 IBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001160421154 1073261665 /nfs/dbraw/zinc/26/16/65/1073261665.db2.gz ATPKGZNCXCLMGT-AEIBSFOJSA-N 1 3 430.553 -0.152 20 0 IBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001160421154 1073261657 /nfs/dbraw/zinc/26/16/57/1073261657.db2.gz ATPKGZNCXCLMGT-AEIBSFOJSA-N 1 3 430.553 -0.152 20 0 IBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001160421156 1073261693 /nfs/dbraw/zinc/26/16/93/1073261693.db2.gz ATPKGZNCXCLMGT-FQQAFBJJSA-N 1 3 430.553 -0.152 20 0 IBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001160421156 1073261687 /nfs/dbraw/zinc/26/16/87/1073261687.db2.gz ATPKGZNCXCLMGT-FQQAFBJJSA-N 1 3 430.553 -0.152 20 0 IBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001160421158 1073261499 /nfs/dbraw/zinc/26/14/99/1073261499.db2.gz ATPKGZNCXCLMGT-NXJYUQPGSA-N 1 3 430.553 -0.152 20 0 IBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001160421158 1073261483 /nfs/dbraw/zinc/26/14/83/1073261483.db2.gz ATPKGZNCXCLMGT-NXJYUQPGSA-N 1 3 430.553 -0.152 20 0 IBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001160421160 1073261618 /nfs/dbraw/zinc/26/16/18/1073261618.db2.gz ATPKGZNCXCLMGT-PLOWYNNNSA-N 1 3 430.553 -0.152 20 0 IBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001160421160 1073261610 /nfs/dbraw/zinc/26/16/10/1073261610.db2.gz ATPKGZNCXCLMGT-PLOWYNNNSA-N 1 3 430.553 -0.152 20 0 IBADHO COCCN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1)C1CCN(C)CC1 ZINC001160438652 1073261945 /nfs/dbraw/zinc/26/19/45/1073261945.db2.gz AJYLGLWGUZGROC-OALUTQOASA-N 1 3 439.601 -0.045 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C)CC1CC[NH+](C)CC1)C(=O)CF ZINC001160455030 1073262482 /nfs/dbraw/zinc/26/24/82/1073262482.db2.gz XMFUKJSRDYMLPX-QOKNQOGYSA-N 1 3 443.564 -0.312 20 0 IBADHO C[NH2+]CC1CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)CC1 ZINC001160459587 1073262532 /nfs/dbraw/zinc/26/25/32/1073262532.db2.gz NDWHZNNFQPDSQJ-YEWWUXTCSA-N 1 3 429.537 -0.654 20 0 IBADHO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160492879 1073263987 /nfs/dbraw/zinc/26/39/87/1073263987.db2.gz IYNOOIDSHFKRGM-BCUIYNNISA-N 1 3 430.527 -0.950 20 0 IBADHO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160492880 1073263965 /nfs/dbraw/zinc/26/39/65/1073263965.db2.gz IYNOOIDSHFKRGM-JFILPPLUSA-N 1 3 430.527 -0.950 20 0 IBADHO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160492881 1073263900 /nfs/dbraw/zinc/26/39/00/1073263900.db2.gz IYNOOIDSHFKRGM-QCQGSNGOSA-N 1 3 430.527 -0.950 20 0 IBADHO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160492882 1073263998 /nfs/dbraw/zinc/26/39/98/1073263998.db2.gz IYNOOIDSHFKRGM-WFGGJUAMSA-N 1 3 430.527 -0.950 20 0 IBADHO CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001160586286 1073264703 /nfs/dbraw/zinc/26/47/03/1073264703.db2.gz ZGCOZVPTBKZCGI-IRXDYDNUSA-N 1 3 431.603 -0.987 20 0 IBADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH+](C)C)C(=O)NCC(N)=O ZINC001160628544 1073266575 /nfs/dbraw/zinc/26/65/75/1073266575.db2.gz JNSSNHSMKBNXGG-ULQDDVLXSA-N 1 3 440.589 -0.831 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C)C[C@@H]1CCC[NH2+]C1)C(=O)CF ZINC001160694412 1073269734 /nfs/dbraw/zinc/26/97/34/1073269734.db2.gz BGAQYQLKZJKOQD-KRXQYRFLSA-N 1 3 429.537 -0.654 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C)C[C@H]1CCC[NH2+]C1)C(=O)CF ZINC001160694413 1073269648 /nfs/dbraw/zinc/26/96/48/1073269648.db2.gz BGAQYQLKZJKOQD-XSWJXKHESA-N 1 3 429.537 -0.654 20 0 IBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001160703840 1073269795 /nfs/dbraw/zinc/26/97/95/1073269795.db2.gz FVJWUJOTLHJQSV-JTJHWIPRSA-N 1 3 429.565 -0.167 20 0 IBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001160703840 1073269790 /nfs/dbraw/zinc/26/97/90/1073269790.db2.gz FVJWUJOTLHJQSV-JTJHWIPRSA-N 1 3 429.565 -0.167 20 0 IBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H](N)CCCNC(=O)c3cnccn3)C[C@H]1C2 ZINC001160789390 1073271506 /nfs/dbraw/zinc/27/15/06/1073271506.db2.gz BWGGEWICXKWTJU-VLXUNWKESA-N 1 3 430.509 -0.829 20 0 IBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001160805692 1073271536 /nfs/dbraw/zinc/27/15/36/1073271536.db2.gz FEGSUFSOHSJQBU-PMACEKPBSA-N 1 3 443.596 -0.138 20 0 IBADHO CCOC(=O)c1cnc2n1CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001160806238 1073272031 /nfs/dbraw/zinc/27/20/31/1073272031.db2.gz MENPTRPXZAGUTQ-HOTGVXAUSA-N 1 3 434.541 -0.108 20 0 IBADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001160838421 1073271946 /nfs/dbraw/zinc/27/19/46/1073271946.db2.gz IRSWULQDDPIJIA-MHORFTMASA-N 1 3 425.574 -0.356 20 0 IBADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001160838422 1073272105 /nfs/dbraw/zinc/27/21/05/1073272105.db2.gz IRSWULQDDPIJIA-XSLAGTTESA-N 1 3 425.574 -0.356 20 0 IBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001160839456 1073272024 /nfs/dbraw/zinc/27/20/24/1073272024.db2.gz PYHZDWQRYVDZIS-DYXWJJEUSA-N 1 3 447.580 -0.398 20 0 IBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001160839462 1073272628 /nfs/dbraw/zinc/27/26/28/1073272628.db2.gz PYHZDWQRYVDZIS-ZJOUEHCJSA-N 1 3 447.580 -0.398 20 0 IBADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915972 1073272940 /nfs/dbraw/zinc/27/29/40/1073272940.db2.gz SNHWUHFJDAQAEA-XIRDDKMYSA-N 1 3 431.541 -0.350 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1)C(=O)CF ZINC001160965216 1073274103 /nfs/dbraw/zinc/27/41/03/1073274103.db2.gz USUDVIYIXZJLDN-ZLFLNXGQSA-N 1 3 441.548 -0.702 20 0 IBADHO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@]45C[NH2+]C[C@H]4CNCC5)C3)C2=O)cc1 ZINC001160965264 1073274057 /nfs/dbraw/zinc/27/40/57/1073274057.db2.gz SSFQAPJCFJPQJE-HVETUWLQSA-N 1 3 427.505 -0.083 20 0 IBADHO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@]45C[NH2+]C[C@H]4CNCC5)C3)C2=O)cc1 ZINC001160965265 1073274071 /nfs/dbraw/zinc/27/40/71/1073274071.db2.gz SSFQAPJCFJPQJE-NPFVIJTESA-N 1 3 427.505 -0.083 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H]([NH3+])CC(F)(F)C1)C(=O)CF ZINC001160972639 1073274499 /nfs/dbraw/zinc/27/44/99/1073274499.db2.gz RJFUGOCBSROQSU-ASHKBJFXSA-N 1 3 437.463 -0.917 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H]([NH3+])CC(F)(F)C1)C(=O)CF ZINC001160972641 1073274445 /nfs/dbraw/zinc/27/44/45/1073274445.db2.gz RJFUGOCBSROQSU-OXIQGZBJSA-N 1 3 437.463 -0.917 20 0 IBADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009500 1073275280 /nfs/dbraw/zinc/27/52/80/1073275280.db2.gz WHOKSFJUBXLEOW-XLAORIBOSA-N 1 3 437.585 -0.429 20 0 IBADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009503 1073275423 /nfs/dbraw/zinc/27/54/23/1073275423.db2.gz WHOKSFJUBXLEOW-XSLAGTTESA-N 1 3 437.585 -0.429 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1)C(=O)CF ZINC001161050397 1073275996 /nfs/dbraw/zinc/27/59/96/1073275996.db2.gz MTCJXKSOIKNJLG-FPXQBCRKSA-N 1 3 443.564 -0.171 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@H]([N@H+](C)C(C)C)C1)C(=O)CF ZINC001161050397 1073275990 /nfs/dbraw/zinc/27/59/90/1073275990.db2.gz MTCJXKSOIKNJLG-FPXQBCRKSA-N 1 3 443.564 -0.171 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1)C(=O)CF ZINC001161050403 1073275971 /nfs/dbraw/zinc/27/59/71/1073275971.db2.gz MTCJXKSOIKNJLG-RCJHGTSTSA-N 1 3 443.564 -0.171 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@H]([N@H+](C)C(C)C)C1)C(=O)CF ZINC001161050403 1073275967 /nfs/dbraw/zinc/27/59/67/1073275967.db2.gz MTCJXKSOIKNJLG-RCJHGTSTSA-N 1 3 443.564 -0.171 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C)C1(C)CC[NH2+]CC1)C(=O)CF ZINC001161073524 1073276417 /nfs/dbraw/zinc/27/64/17/1073276417.db2.gz OXFWONCJCWFXBT-ZQIUZPCESA-N 1 3 429.537 -0.512 20 0 IBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(c1ncnc2ccccc21)C1CC[NH2+]CC1)C(N)=O ZINC001161092263 1073276908 /nfs/dbraw/zinc/27/69/08/1073276908.db2.gz YFIBPRCUYKLOHF-SUMWQHHRSA-N 1 3 427.509 -0.188 20 0 IBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117351 1073276853 /nfs/dbraw/zinc/27/68/53/1073276853.db2.gz HPLKCCLXTGGDGB-JYJNAYRXSA-N 1 3 425.484 -0.978 20 0 IBADHO N[C@H](Cc1c[nH]cn1)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117352 1073276922 /nfs/dbraw/zinc/27/69/22/1073276922.db2.gz HPLKCCLXTGGDGB-XHSDSOJGSA-N 1 3 425.484 -0.978 20 0 IBADHO Cn1cncc1C[C@H](N)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117679 1073276794 /nfs/dbraw/zinc/27/67/94/1073276794.db2.gz RDGCJYITILREOJ-ULQDDVLXSA-N 1 3 439.511 -0.968 20 0 IBADHO COC(=O)CC[C@H](N)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118246 1073277290 /nfs/dbraw/zinc/27/72/90/1073277290.db2.gz DBOAHKWCHDBSDA-KKUMJFAQSA-N 1 3 431.484 -0.991 20 0 IBADHO COC(=O)CC[C@@H](N)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118247 1073277326 /nfs/dbraw/zinc/27/73/26/1073277326.db2.gz DBOAHKWCHDBSDA-ZNMIVQPWSA-N 1 3 431.484 -0.991 20 0 IBADHO CN1CCN(CCC(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC1 ZINC001161118936 1073277689 /nfs/dbraw/zinc/27/76/89/1073277689.db2.gz JUPZCCRBJAKYQP-ROUUACIJSA-N 1 3 442.555 -0.634 20 0 IBADHO CN1CCC(O)(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC1 ZINC001161123058 1073278747 /nfs/dbraw/zinc/27/87/47/1073278747.db2.gz OQSNKUBQCHMMFA-HOTGVXAUSA-N 1 3 429.512 -0.815 20 0 IBADHO O=C([C@@H]1C[C@H](N2CCN(C(=O)c3[nH]nc4c3CNCC4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161124010 1073278800 /nfs/dbraw/zinc/27/88/00/1073278800.db2.gz MQYBDVUSRRULNG-BBRMVZONSA-N 1 3 437.495 -0.589 20 0 IBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161152302 1073280361 /nfs/dbraw/zinc/28/03/61/1073280361.db2.gz GAATXWHMJLAWOQ-ONGXEEELSA-N 1 3 431.419 -0.712 20 0 IBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1)C(N)=O ZINC001161152656 1073280176 /nfs/dbraw/zinc/28/01/76/1073280176.db2.gz QESDMDOOTVQOHP-CMPLNLGQSA-N 1 3 445.446 -0.322 20 0 IBADHO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2)c2nonc21 ZINC001161152916 1073280353 /nfs/dbraw/zinc/28/03/53/1073280353.db2.gz BFZSSIDVXSWPGB-ZDUSSCGKSA-N 1 3 439.542 -0.422 20 0 IBADHO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@H](N)CCC[NH3+])CC2)c2nonc21 ZINC001161153716 1073280654 /nfs/dbraw/zinc/28/06/54/1073280654.db2.gz OPJJTYWVPODYDT-GFCCVEGCSA-N 1 3 425.515 -0.812 20 0 IBADHO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H](N)CCC[NH3+])CC2)c2nonc21 ZINC001161153717 1073281097 /nfs/dbraw/zinc/28/10/97/1073281097.db2.gz OPJJTYWVPODYDT-LBPRGKRZSA-N 1 3 425.515 -0.812 20 0 IBADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N ZINC001161158703 1073281553 /nfs/dbraw/zinc/28/15/53/1073281553.db2.gz MMRIMXRMYRMDBD-ULQDDVLXSA-N 1 3 441.573 -0.404 20 0 IBADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197105 1073282415 /nfs/dbraw/zinc/28/24/15/1073282415.db2.gz ZPTDRUKTDVCBEZ-GOSISDBHSA-N 1 3 428.599 -0.686 20 0 IBADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197106 1073282521 /nfs/dbraw/zinc/28/25/21/1073282521.db2.gz ZPTDRUKTDVCBEZ-SFHVURJKSA-N 1 3 428.599 -0.686 20 0 IBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)COC1(C)C ZINC001161198829 1073282471 /nfs/dbraw/zinc/28/24/71/1073282471.db2.gz ZPFQYMOGXKHEGG-HKUYNNGSSA-N 1 3 439.601 -0.152 20 0 IBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269967 1073283440 /nfs/dbraw/zinc/28/34/40/1073283440.db2.gz OXJGPZICRBFDNI-ROUUACIJSA-N 1 3 443.614 -0.150 20 0 IBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161270122 1073283527 /nfs/dbraw/zinc/28/35/27/1073283527.db2.gz RGVDOBSWMVNDHM-ROUUACIJSA-N 1 3 438.573 -0.534 20 0 IBADHO CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)[C@@H]1CCC[NH2+]C1 ZINC001161331204 1073285148 /nfs/dbraw/zinc/28/51/48/1073285148.db2.gz UEIDYPZWJXBEGX-KRXQYRFLSA-N 1 3 429.537 -0.512 20 0 IBADHO CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)[C@H]1CCC[NH2+]C1 ZINC001161331205 1073285289 /nfs/dbraw/zinc/28/52/89/1073285289.db2.gz UEIDYPZWJXBEGX-XSWJXKHESA-N 1 3 429.537 -0.512 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C(C)C)[C@H]1CC[NH2+]C1)C(=O)CF ZINC001161352951 1073285109 /nfs/dbraw/zinc/28/51/09/1073285109.db2.gz IRRNWJYNRLREML-XSWJXKHESA-N 1 3 429.537 -0.513 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)C(=O)CF ZINC001161414352 1073285981 /nfs/dbraw/zinc/28/59/81/1073285981.db2.gz VIQANTURQHSMPK-BGLWDAMLSA-N 1 3 427.521 -0.916 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)C(=O)CF ZINC001161414353 1073286050 /nfs/dbraw/zinc/28/60/50/1073286050.db2.gz VIQANTURQHSMPK-LLRYKLARSA-N 1 3 427.521 -0.916 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)C(=O)CF ZINC001161414354 1073286021 /nfs/dbraw/zinc/28/60/21/1073286021.db2.gz VIQANTURQHSMPK-XFEXQEHJSA-N 1 3 427.521 -0.916 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)C(=O)CF ZINC001161414355 1073285935 /nfs/dbraw/zinc/28/59/35/1073285935.db2.gz VIQANTURQHSMPK-ZOTZHQQFSA-N 1 3 427.521 -0.916 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@@](C)(C[NH3+])C1)C(=O)CF ZINC001161489154 1073288270 /nfs/dbraw/zinc/28/82/70/1073288270.db2.gz QKTPAZBDEGLKKV-CXIBIASBSA-N 1 3 429.537 -0.525 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@](C)(C[NH3+])C1)C(=O)CF ZINC001161489156 1073288416 /nfs/dbraw/zinc/28/84/16/1073288416.db2.gz QKTPAZBDEGLKKV-FGTCXIJOSA-N 1 3 429.537 -0.525 20 0 IBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1cc(CN)ncn1)C(N)=O ZINC001162858820 1073301397 /nfs/dbraw/zinc/30/13/97/1073301397.db2.gz UYGCAXNCVIWXBH-BQFCYCMXSA-N 1 3 448.572 -0.538 20 0 IBADHO NC(=O)[C@H](Cc1cn(-c2cc(C[NH3+])ncn2)c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001163427885 1073303603 /nfs/dbraw/zinc/30/36/03/1073303603.db2.gz NKSYXCZXRCVDQI-ROUUACIJSA-N 1 3 447.503 -0.315 20 0 IBADHO C(C1CC1)[N@@H+]1C[C@H]2CN(c3nc(N4CCOCC4)nc(N4CCOCC4)n3)C[C@@H](C1)O2 ZINC001164965312 722068608 /nfs/dbraw/zinc/06/86/08/722068608.db2.gz IREGZKVSPGLLSL-HDICACEKSA-N 1 3 431.541 -0.156 20 0 IBADHO C(C1CC1)[N@H+]1C[C@H]2CN(c3nc(N4CCOCC4)nc(N4CCOCC4)n3)C[C@@H](C1)O2 ZINC001164965312 722068607 /nfs/dbraw/zinc/06/86/07/722068607.db2.gz IREGZKVSPGLLSL-HDICACEKSA-N 1 3 431.541 -0.156 20 0 IBADHO O=S1(=O)Cc2cn(-c3cc4c(nn3)CCNC4)c(=NCC3CC3)nc2[C@H]2C[NH2+]C[C@H]21 ZINC001165792684 1073313823 /nfs/dbraw/zinc/31/38/23/1073313823.db2.gz NGOXJWKWBDIENV-DOTOQJQBSA-N 1 3 427.534 -0.398 20 0 IBADHO O=C(c1nn(-c2nc3c(c(N4CCOCC4)n2)CNC3)c2c1C[NH2+]C2)N1CCOCC1 ZINC001165862438 1073317821 /nfs/dbraw/zinc/31/78/21/1073317821.db2.gz IGNIYDUVYNVWIV-UHFFFAOYSA-N 1 3 426.481 -0.822 20 0 IBADHO CC1CCC(n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001168209469 1072880566 /nfs/dbraw/zinc/88/05/66/1072880566.db2.gz WIBSPNNKMSMQQF-KXIUCKCTSA-N 1 3 435.573 -0.281 20 0 IBADHO CC1(C)[C@@H]2C[C@H](n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)C[C@@H]21 ZINC001170741697 1074014061 /nfs/dbraw/zinc/01/40/61/1074014061.db2.gz WAAPUMZWGFENLL-ADHGMGHFSA-N 1 3 447.584 -0.425 20 0 IBADHO CC1(C)[C@@H]2C[C@@H](n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)C[C@@H]21 ZINC001170741703 1074013986 /nfs/dbraw/zinc/01/39/86/1074013986.db2.gz WAAPUMZWGFENLL-JCECYMMASA-N 1 3 447.584 -0.425 20 0 IBADHO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)[N-]c2ncnn2-3)C[C@H]1C[NH+](C)C ZINC001171392180 1074118417 /nfs/dbraw/zinc/11/84/17/1074118417.db2.gz FCJAGRIXPFRBBC-HUUCEWRRSA-N 1 3 433.538 -0.091 20 0 IBADHO C[C@@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C[C@H]1C ZINC001172368125 1074127554 /nfs/dbraw/zinc/12/75/54/1074127554.db2.gz NSIAYIMTJXSPBR-LIEJCIORSA-N 1 3 449.600 -0.035 20 0 IBADHO C[C@@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C[C@@H]1C ZINC001172368268 1074127380 /nfs/dbraw/zinc/12/73/80/1074127380.db2.gz NSIAYIMTJXSPBR-PHAGKYIGSA-N 1 3 449.600 -0.035 20 0 IBADHO C[C@@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C[C@H]1C ZINC001172368270 1074127570 /nfs/dbraw/zinc/12/75/70/1074127570.db2.gz NSIAYIMTJXSPBR-PTGCCPEKSA-N 1 3 449.600 -0.035 20 0 IBADHO C[C@@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C[C@@H]1C ZINC001172368273 1074127542 /nfs/dbraw/zinc/12/75/42/1074127542.db2.gz NSIAYIMTJXSPBR-UYKLPWQDSA-N 1 3 449.600 -0.035 20 0 IBADHO CC[C@@H](CC(C)C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172398577 1074127422 /nfs/dbraw/zinc/12/74/22/1074127422.db2.gz GBCPGVCIVSFWNA-BZSNNMDCSA-N 1 3 437.589 -0.035 20 0 IBADHO CC[C@H](CC(C)C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172398580 1074127563 /nfs/dbraw/zinc/12/75/63/1074127563.db2.gz GBCPGVCIVSFWNA-SQNIBIBYSA-N 1 3 437.589 -0.035 20 0 IBADHO CC[C@@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001173270798 1074130435 /nfs/dbraw/zinc/13/04/35/1074130435.db2.gz DRVMXPSDEMFDPX-BGTYHANMSA-N 1 3 435.573 -0.281 20 0 IBADHO CC[C@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001173270806 1074130250 /nfs/dbraw/zinc/13/02/50/1074130250.db2.gz DRVMXPSDEMFDPX-DKIMLUQUSA-N 1 3 435.573 -0.281 20 0 IBADHO CC[C@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001173270808 1074130332 /nfs/dbraw/zinc/13/03/32/1074130332.db2.gz DRVMXPSDEMFDPX-RANZSIQMSA-N 1 3 435.573 -0.281 20 0 IBADHO CC[C@@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001173270810 1074130237 /nfs/dbraw/zinc/13/02/37/1074130237.db2.gz DRVMXPSDEMFDPX-UBDQQSCGSA-N 1 3 435.573 -0.281 20 0 IBADHO CCSC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001173301894 1074130221 /nfs/dbraw/zinc/13/02/21/1074130221.db2.gz MJNVRAZDNPGPPF-BPUTZDHNSA-N 1 3 441.602 -0.718 20 0 IBADHO CCSC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001173301899 1074130366 /nfs/dbraw/zinc/13/03/66/1074130366.db2.gz MJNVRAZDNPGPPF-KBMXLJTQSA-N 1 3 441.602 -0.718 20 0 IBADHO COC(=O)[C@@H]1C[C@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C[C@@H]1C(=O)OC ZINC001173574820 1074131633 /nfs/dbraw/zinc/13/16/33/1074131633.db2.gz BGXVCYRXZUGNJJ-BCDXTJNWSA-N 1 3 438.569 -0.103 20 0 IBADHO COC(=O)[C@@H]1C[C@@H](N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C[C@@H]1C(=O)OC ZINC001173574822 1074131466 /nfs/dbraw/zinc/13/14/66/1074131466.db2.gz BGXVCYRXZUGNJJ-NNZMDNLPSA-N 1 3 438.569 -0.103 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCN(C)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001178953078 1074180197 /nfs/dbraw/zinc/18/01/97/1074180197.db2.gz BGNOBULYNDNNQB-CAVMOMJPSA-N 1 3 429.606 -0.471 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCN(C)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001178953079 1074180111 /nfs/dbraw/zinc/18/01/11/1074180111.db2.gz BGNOBULYNDNNQB-HROONELDSA-N 1 3 429.606 -0.471 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCN(C)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001178953080 1074180147 /nfs/dbraw/zinc/18/01/47/1074180147.db2.gz BGNOBULYNDNNQB-TXTPUJOMSA-N 1 3 429.606 -0.471 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCN(C)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001178953081 1074180230 /nfs/dbraw/zinc/18/02/30/1074180230.db2.gz BGNOBULYNDNNQB-VDWQKOAOSA-N 1 3 429.606 -0.471 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=NN(C)C(=O)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001180445551 1074198904 /nfs/dbraw/zinc/19/89/04/1074198904.db2.gz KSXWARIEALPQIH-KMUPADOHSA-N 1 3 427.546 -0.110 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=NN(C)C(=O)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001180445552 1074198991 /nfs/dbraw/zinc/19/89/91/1074198991.db2.gz KSXWARIEALPQIH-LMZXCRDUSA-N 1 3 427.546 -0.110 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=NN(C)C(=O)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001180445553 1074198941 /nfs/dbraw/zinc/19/89/41/1074198941.db2.gz KSXWARIEALPQIH-PKKRGFRTSA-N 1 3 427.546 -0.110 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=NN(C)C(=O)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001180445554 1074199023 /nfs/dbraw/zinc/19/90/23/1074199023.db2.gz KSXWARIEALPQIH-UBQXRGRESA-N 1 3 427.546 -0.110 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CSCC(=O)N2)[C@H](O)OC(C)(C)C)C1 ZINC001180555219 1074201090 /nfs/dbraw/zinc/20/10/90/1074201090.db2.gz OMODAJVWGOAKJU-BMEQTGIOSA-N 1 3 432.587 -0.486 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CSCC(=O)N2)[C@@H](O)OC(C)(C)C)C1 ZINC001180555225 1074201111 /nfs/dbraw/zinc/20/11/11/1074201111.db2.gz OMODAJVWGOAKJU-GIHPLKMASA-N 1 3 432.587 -0.486 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CSCC(=O)N2)[C@@H](O)OC(C)(C)C)C1 ZINC001180555228 1074201044 /nfs/dbraw/zinc/20/10/44/1074201044.db2.gz OMODAJVWGOAKJU-LJVDNRPASA-N 1 3 432.587 -0.486 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CSCC(=O)N2)[C@H](O)OC(C)(C)C)C1 ZINC001180555233 1074201015 /nfs/dbraw/zinc/20/10/15/1074201015.db2.gz OMODAJVWGOAKJU-RMGSKACKSA-N 1 3 432.587 -0.486 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CC(=O)N(C)C(=O)N2)[C@@H](O)OC(C)(C)C)C1 ZINC001181134964 1074209927 /nfs/dbraw/zinc/20/99/27/1074209927.db2.gz IJPNASQXAFRQMD-NJPPPDQISA-N 1 3 443.545 -0.778 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CC(=O)N(C)C(=O)N2)[C@H](O)OC(C)(C)C)C1 ZINC001181134965 1074209919 /nfs/dbraw/zinc/20/99/19/1074209919.db2.gz IJPNASQXAFRQMD-SEKBFNONSA-N 1 3 443.545 -0.778 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CC(=O)N(C)C(=O)N2)[C@H](O)OC(C)(C)C)C1 ZINC001181134966 1074209854 /nfs/dbraw/zinc/20/98/54/1074209854.db2.gz IJPNASQXAFRQMD-VOVIHXRDSA-N 1 3 443.545 -0.778 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CC(=O)N(C)C(=O)N2)[C@@H](O)OC(C)(C)C)C1 ZINC001181134967 1074209903 /nfs/dbraw/zinc/20/99/03/1074209903.db2.gz IJPNASQXAFRQMD-WIELXFRGSA-N 1 3 443.545 -0.778 20 0 IBADHO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C2(O)CCN(C)CC2)c2nonc21 ZINC001182035809 1074218182 /nfs/dbraw/zinc/21/81/82/1074218182.db2.gz GCQRPYLVTGGNMP-UHFFFAOYSA-N 1 3 426.499 -0.779 20 0 IBADHO CC(=O)N[C@H](CCO)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001182140436 1074219947 /nfs/dbraw/zinc/21/99/47/1074219947.db2.gz XZONYRYFXXWQNQ-AMQNGPJSSA-N 1 3 432.562 -0.831 20 0 IBADHO CC(=O)N[C@H](CCO)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001182140440 1074219935 /nfs/dbraw/zinc/21/99/35/1074219935.db2.gz XZONYRYFXXWQNQ-JOSHXOIJSA-N 1 3 432.562 -0.831 20 0 IBADHO CC(=O)N[C@H](CCO)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001182140443 1074219818 /nfs/dbraw/zinc/21/98/18/1074219818.db2.gz XZONYRYFXXWQNQ-KBUCOWLLSA-N 1 3 432.562 -0.831 20 0 IBADHO CC(=O)N[C@H](CCO)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001182140446 1074219810 /nfs/dbraw/zinc/21/98/10/1074219810.db2.gz XZONYRYFXXWQNQ-VGTAHMJBSA-N 1 3 432.562 -0.831 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CC2CC(=O)NC(=O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001182177639 1074221210 /nfs/dbraw/zinc/22/12/10/1074221210.db2.gz QKVFURFRJVQERG-HQNIOCCESA-N 1 3 442.557 -0.275 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CC2CC(=O)NC(=O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001182177640 1074221276 /nfs/dbraw/zinc/22/12/76/1074221276.db2.gz QKVFURFRJVQERG-IYNKWVJVSA-N 1 3 442.557 -0.275 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CC2CC(=O)NC(=O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001182177641 1074221250 /nfs/dbraw/zinc/22/12/50/1074221250.db2.gz QKVFURFRJVQERG-PSYRKBHYSA-N 1 3 442.557 -0.275 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CC2CC(=O)NC(=O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001182177642 1074221224 /nfs/dbraw/zinc/22/12/24/1074221224.db2.gz QKVFURFRJVQERG-QEFISFJRSA-N 1 3 442.557 -0.275 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN(C)S(C)(=O)=O)[C@H](O)OC(C)(C)C)C1 ZINC001182883992 1074236415 /nfs/dbraw/zinc/23/64/15/1074236415.db2.gz WBQIMVOTJXLBDW-CUINURIISA-N 1 3 438.591 -0.827 20 0 IBADHO 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/nfs/dbraw/zinc/24/70/77/1074247077.db2.gz XDUVARSKPCVLLC-UYXHFYCZSA-N 1 3 441.569 -0.110 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=C[C@](C)(O)C=C[C@@H]2O)[C@@H](O)OC(C)(C)C)C1 ZINC001183548791 1074247121 /nfs/dbraw/zinc/24/71/21/1074247121.db2.gz XDUVARSKPCVLLC-XFVQXJMASA-N 1 3 441.569 -0.110 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=C[C@](C)(O)C=C[C@@H]2O)[C@H](O)OC(C)(C)C)C1 ZINC001183548792 1074247201 /nfs/dbraw/zinc/24/72/01/1074247201.db2.gz XDUVARSKPCVLLC-YQKIYFSQSA-N 1 3 441.569 -0.110 20 0 IBADHO CC(=O)N[C@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+])[C@@H](C)O ZINC001183703004 1074249845 /nfs/dbraw/zinc/24/98/45/1074249845.db2.gz KHIMUJQUAVXKLE-CJMKTOODSA-N 1 3 432.562 -0.833 20 0 IBADHO CC(=O)N[C@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+])[C@@H](C)O ZINC001183703005 1074249690 /nfs/dbraw/zinc/24/96/90/1074249690.db2.gz KHIMUJQUAVXKLE-MGVCXOGISA-N 1 3 432.562 -0.833 20 0 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ZINC001209272714 1073331954 /nfs/dbraw/zinc/33/19/54/1073331954.db2.gz KJIVOCFLLDQKOW-FGTMMUONSA-N 1 3 428.574 -0.970 20 0 IBADHO C[C@H]([NH3+])C(=O)N[C@H](CCc1nc(-c2cccc(CN3CCN(C)CC3)c2)no1)C(N)=O ZINC001211998669 1072953361 /nfs/dbraw/zinc/95/33/61/1072953361.db2.gz VWKWGRFKJRFENU-WMLDXEAASA-N 1 3 429.525 -0.266 20 0 IBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001218509360 1073350440 /nfs/dbraw/zinc/35/04/40/1073350440.db2.gz AMODLBBQLVMEFT-IRXDYDNUSA-N 1 3 432.525 -0.060 20 0 IBADHO CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218553193 1073350913 /nfs/dbraw/zinc/35/09/13/1073350913.db2.gz WJOAKDZMOKHPBD-QWRGUYRKSA-N 1 3 440.526 -0.196 20 0 IBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640876 1073354941 /nfs/dbraw/zinc/35/49/41/1073354941.db2.gz MVBDZVQNKUEIEE-ICSRJNTNSA-N 1 3 441.536 -0.207 20 0 IBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218778480 1073359308 /nfs/dbraw/zinc/35/93/08/1073359308.db2.gz IPZKKAFNIFDZNI-ASHKBJFXSA-N 1 3 427.937 -0.880 20 0 IBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218778481 1073359190 /nfs/dbraw/zinc/35/91/90/1073359190.db2.gz IPZKKAFNIFDZNI-OHTBPHCPSA-N 1 3 427.937 -0.880 20 0 IBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218778482 1073359158 /nfs/dbraw/zinc/35/91/58/1073359158.db2.gz IPZKKAFNIFDZNI-OXIQGZBJSA-N 1 3 427.937 -0.880 20 0 IBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218778483 1073359172 /nfs/dbraw/zinc/35/91/72/1073359172.db2.gz IPZKKAFNIFDZNI-YFCNSXCBSA-N 1 3 427.937 -0.880 20 0 IBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218778679 1073359136 /nfs/dbraw/zinc/35/91/36/1073359136.db2.gz UYNYRNSLTMPOAZ-CRWXNKLISA-N 1 3 441.964 -0.492 20 0 IBADHO 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CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)cc1 ZINC001218988615 1073370665 /nfs/dbraw/zinc/37/06/65/1073370665.db2.gz HYOHCCQYERBMGC-FQEVSTJZSA-N 1 3 431.585 -0.414 20 0 IBADHO CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)[C@H](N)CN2CCC([NH3+])CC2)cc1 ZINC001218988622 1073370536 /nfs/dbraw/zinc/37/05/36/1073370536.db2.gz HYOHCCQYERBMGC-HXUWFJFHSA-N 1 3 431.585 -0.414 20 0 IBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001219193993 1073371108 /nfs/dbraw/zinc/37/11/08/1073371108.db2.gz UWGMBRRVUMWKSM-NHYWBVRUSA-N 1 3 444.458 -0.244 20 0 IBADHO COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001219489588 1073372427 /nfs/dbraw/zinc/37/24/27/1073372427.db2.gz RKLKHNJDMHOSPN-GUYCJALGSA-N 1 3 434.541 -0.129 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1)C(=O)CF ZINC001219646711 1073374027 /nfs/dbraw/zinc/37/40/27/1073374027.db2.gz XAOWXTJPEGBFAK-GLRLOKQVSA-N 1 3 429.537 -0.750 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1C[NH2+]C[C@H](C)C1)C(=O)CF ZINC001219646712 1073373741 /nfs/dbraw/zinc/37/37/41/1073373741.db2.gz XAOWXTJPEGBFAK-JSEZXORMSA-N 1 3 429.537 -0.750 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1)C(=O)CF ZINC001219646713 1073373935 /nfs/dbraw/zinc/37/39/35/1073373935.db2.gz XAOWXTJPEGBFAK-PQKJENKHSA-N 1 3 429.537 -0.750 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1)C(=O)CF ZINC001219646714 1073373655 /nfs/dbraw/zinc/37/36/55/1073373655.db2.gz XAOWXTJPEGBFAK-ZVZLPEGASA-N 1 3 429.537 -0.750 20 0 IBADHO O=C(NCCS(=O)(=O)N1CCNCC1)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001219678539 1073374764 /nfs/dbraw/zinc/37/47/64/1073374764.db2.gz RZERAXKJDXKALA-IFMALSPDSA-N 1 3 449.621 -0.161 20 0 IBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739451 1073376697 /nfs/dbraw/zinc/37/66/97/1073376697.db2.gz OSSAGFHZEVAFPI-BJLQDIEVSA-N 1 3 445.564 -0.692 20 0 IBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739452 1073376676 /nfs/dbraw/zinc/37/66/76/1073376676.db2.gz OSSAGFHZEVAFPI-HBFSDRIKSA-N 1 3 445.564 -0.692 20 0 IBADHO Cc1ccc(S(=O)(=O)n2cnc(C[C@@H](N)C(=O)NC[C@H]3C[C@H]4C[NH2+]CCN4C3)c2)cc1 ZINC001219764922 1073377310 /nfs/dbraw/zinc/37/73/10/1073377310.db2.gz PIMPKEMGEQBHAQ-IMFGXOCKSA-N 1 3 446.577 -0.292 20 0 IBADHO Cc1ccc(S(=O)(=O)n2cnc(C[C@@H](N)C(=O)NC[C@H]3C[C@H]4CNCC[N@H+]4C3)c2)cc1 ZINC001219764922 1073377302 /nfs/dbraw/zinc/37/73/02/1073377302.db2.gz PIMPKEMGEQBHAQ-IMFGXOCKSA-N 1 3 446.577 -0.292 20 0 IBADHO Cc1ccc(S(=O)(=O)n2cnc(C[C@@H](N)C(=O)NC[C@H]3C[C@H]4CNCC[N@@H+]4C3)c2)cc1 ZINC001219764922 1073377293 /nfs/dbraw/zinc/37/72/93/1073377293.db2.gz PIMPKEMGEQBHAQ-IMFGXOCKSA-N 1 3 446.577 -0.292 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@]1(F)CCC[NH2+]C1)C(=O)CF ZINC001219768718 1073377142 /nfs/dbraw/zinc/37/71/42/1073377142.db2.gz PNIPSICULPQXLT-DYIBVVGTSA-N 1 3 433.500 -0.904 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@]1(F)CCC[NH2+]C1)C(=O)CF ZINC001219768724 1073377396 /nfs/dbraw/zinc/37/73/96/1073377396.db2.gz PNIPSICULPQXLT-LKTHJCGVSA-N 1 3 433.500 -0.904 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC1CC2(C1)CC[NH2+]CC2)C(=O)CF ZINC001219777171 1073377922 /nfs/dbraw/zinc/37/79/22/1073377922.db2.gz AXSUVWFURMSKOT-YEWWUXTCSA-N 1 3 441.548 -0.464 20 0 IBADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219803056 1073377814 /nfs/dbraw/zinc/37/78/14/1073377814.db2.gz JOPGNBWHGGBHGT-MHORFTMASA-N 1 3 437.585 -0.260 20 0 IBADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219803057 1073377714 /nfs/dbraw/zinc/37/77/14/1073377714.db2.gz JOPGNBWHGGBHGT-XSLAGTTESA-N 1 3 437.585 -0.260 20 0 IBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814717 1073378213 /nfs/dbraw/zinc/37/82/13/1073378213.db2.gz KAVTWOVTTOZDOZ-JPPTWICTSA-N 1 3 445.564 -0.834 20 0 IBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831264 1073378151 /nfs/dbraw/zinc/37/81/51/1073378151.db2.gz DQALKJNAZWNEIU-AGRFSFNASA-N 1 3 445.564 -0.694 20 0 IBADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837814 1073379107 /nfs/dbraw/zinc/37/91/07/1073379107.db2.gz MESJSYFGOMIRLB-DRMAHVMPSA-N 1 3 448.655 -0.184 20 0 IBADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837818 1073378981 /nfs/dbraw/zinc/37/89/81/1073378981.db2.gz MESJSYFGOMIRLB-FPXQBCRKSA-N 1 3 448.655 -0.184 20 0 IBADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837819 1073378864 /nfs/dbraw/zinc/37/88/64/1073378864.db2.gz MESJSYFGOMIRLB-IUVQAAGXSA-N 1 3 448.655 -0.184 20 0 IBADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837820 1073379187 /nfs/dbraw/zinc/37/91/87/1073379187.db2.gz MESJSYFGOMIRLB-PASDCYSWSA-N 1 3 448.655 -0.184 20 0 IBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219849530 1073379441 /nfs/dbraw/zinc/37/94/41/1073379441.db2.gz CKJOCEMRDJBRGI-OAGDOXAWSA-N 1 3 445.564 -0.551 20 0 IBADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852237 1073379819 /nfs/dbraw/zinc/37/98/19/1073379819.db2.gz ORLZRGVATVPEMX-KOUJMVCDSA-N 1 3 437.585 -0.404 20 0 IBADHO COCCn1c(=O)ccc2c1CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001219898324 1073380859 /nfs/dbraw/zinc/38/08/59/1073380859.db2.gz JYYWSRMTHNHWNX-BJLQDIEVSA-N 1 3 447.580 -0.085 20 0 IBADHO COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001219898325 1073380913 /nfs/dbraw/zinc/38/09/13/1073380913.db2.gz JYYWSRMTHNHWNX-HBFSDRIKSA-N 1 3 447.580 -0.085 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCCCC[NH+](C)C)C(=O)CF ZINC001219921791 1073381832 /nfs/dbraw/zinc/38/18/32/1073381832.db2.gz YHBCLFPJXSKLGI-MPGHIAIKSA-N 1 3 431.553 -0.264 20 0 IBADHO CCC[NH+]1CCC(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)CC1 ZINC001219954557 1073381887 /nfs/dbraw/zinc/38/18/87/1073381887.db2.gz LLWBGBMBZUQKDK-QOKNQOGYSA-N 1 3 443.564 -0.122 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)C(=O)CF ZINC001219981100 1073382939 /nfs/dbraw/zinc/38/29/39/1073382939.db2.gz WZBBTVLCUZFOLJ-FPXQBCRKSA-N 1 3 443.564 -0.264 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC[C@@H]1CCC[N@H+](C)C1)C(=O)CF ZINC001219981100 1073382933 /nfs/dbraw/zinc/38/29/33/1073382933.db2.gz WZBBTVLCUZFOLJ-FPXQBCRKSA-N 1 3 443.564 -0.264 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC[C@H]1CCC[N@@H+](C)C1)C(=O)CF ZINC001219981101 1073382807 /nfs/dbraw/zinc/38/28/07/1073382807.db2.gz WZBBTVLCUZFOLJ-RCJHGTSTSA-N 1 3 443.564 -0.264 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC[C@H]1CCC[N@H+](C)C1)C(=O)CF ZINC001219981101 1073382799 /nfs/dbraw/zinc/38/27/99/1073382799.db2.gz WZBBTVLCUZFOLJ-RCJHGTSTSA-N 1 3 443.564 -0.264 20 0 IBADHO COC(=O)C1(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)CC[NH2+]CC1 ZINC001220001831 1073383211 /nfs/dbraw/zinc/38/32/11/1073383211.db2.gz YIYBMBNPHGYGNZ-JYJNAYRXSA-N 1 3 439.557 -0.733 20 0 IBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020413 1073383185 /nfs/dbraw/zinc/38/31/85/1073383185.db2.gz HRANESVUJNOAPW-LPHOPBHVSA-N 1 3 427.509 -0.712 20 0 IBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)n1ccc(C[NH3+])cc1=N ZINC001220045003 1073384124 /nfs/dbraw/zinc/38/41/24/1073384124.db2.gz HPZZEIDATMPSFF-PXNSSMCTSA-N 1 3 426.521 -0.107 20 0 IBADHO Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC001220045092 1073384193 /nfs/dbraw/zinc/38/41/93/1073384193.db2.gz LTYFJUZVVDJTGR-HKUYNNGSSA-N 1 3 441.536 -0.403 20 0 IBADHO O=C(NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220103420 1073384564 /nfs/dbraw/zinc/38/45/64/1073384564.db2.gz RBTWNWLWGNVXFB-HOTGVXAUSA-N 1 3 433.484 -0.087 20 0 IBADHO O=C(NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)[C@H]1C[NH2+]CC12CNC2 ZINC001220103421 1073384481 /nfs/dbraw/zinc/38/44/81/1073384481.db2.gz RBTWNWLWGNVXFB-JKSUJKDBSA-N 1 3 433.484 -0.087 20 0 IBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC001220104249 1073384770 /nfs/dbraw/zinc/38/47/70/1073384770.db2.gz ALGSBERHVHQEEQ-ROUUACIJSA-N 1 3 447.536 -0.591 20 0 IBADHO CCOC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C(=O)OCC ZINC001220230739 1073386746 /nfs/dbraw/zinc/38/67/46/1073386746.db2.gz NXDLXWHWLQCYRV-JYJNAYRXSA-N 1 3 428.530 -0.175 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC[C@H]1CCC[N@H+]1C)C(=O)CF ZINC001220251829 1073387162 /nfs/dbraw/zinc/38/71/62/1073387162.db2.gz GZUTWZCIISYGGX-KRXQYRFLSA-N 1 3 429.537 -0.512 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC[C@H]1CCC[N@@H+]1C)C(=O)CF ZINC001220251829 1073387157 /nfs/dbraw/zinc/38/71/57/1073387157.db2.gz GZUTWZCIISYGGX-KRXQYRFLSA-N 1 3 429.537 -0.512 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC[C@@H]1CCC[N@H+]1C)C(=O)CF ZINC001220251830 1073387252 /nfs/dbraw/zinc/38/72/52/1073387252.db2.gz GZUTWZCIISYGGX-XSWJXKHESA-N 1 3 429.537 -0.512 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC[C@@H]1CCC[N@@H+]1C)C(=O)CF ZINC001220251830 1073387248 /nfs/dbraw/zinc/38/72/48/1073387248.db2.gz GZUTWZCIISYGGX-XSWJXKHESA-N 1 3 429.537 -0.512 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC(C)(C)C[NH+](C)C)C(=O)CF ZINC001220254811 1073387194 /nfs/dbraw/zinc/38/71/94/1073387194.db2.gz YSQXRSZGSRTOKX-ZQIUZPCESA-N 1 3 431.553 -0.408 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(CC[NH3+])c1cccnc1)C(=O)CF ZINC001220263334 1073387114 /nfs/dbraw/zinc/38/71/14/1073387114.db2.gz GXZXRVRQFDNUIT-YEWWUXTCSA-N 1 3 438.504 -0.725 20 0 IBADHO CCOC(=O)[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220281861 1073387594 /nfs/dbraw/zinc/38/75/94/1073387594.db2.gz CGCUFFIANYIDDF-DFYYWFRZSA-N 1 3 439.534 -0.630 20 0 IBADHO CCOC(=O)[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284519 1073388946 /nfs/dbraw/zinc/38/89/46/1073388946.db2.gz RMCASNOSPZKSPY-BBWFWOEESA-N 1 3 427.523 -0.502 20 0 IBADHO CCOC(=O)[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284521 1073388959 /nfs/dbraw/zinc/38/89/59/1073388959.db2.gz RMCASNOSPZKSPY-ZACQAIPSSA-N 1 3 427.523 -0.502 20 0 IBADHO CCOC(=O)[C@H](NC(=O)[C@@H](N)CSCC[NH3+])[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284840 1073388817 /nfs/dbraw/zinc/38/88/17/1073388817.db2.gz YHTNIKIKBHMXIQ-ZNMIVQPWSA-N 1 3 433.552 -0.809 20 0 IBADHO CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220354774 1073389497 /nfs/dbraw/zinc/38/94/97/1073389497.db2.gz XANKHFSGILZMNV-DLBZAZTESA-N 1 3 426.539 -0.218 20 0 IBADHO CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220354775 1073389389 /nfs/dbraw/zinc/38/93/89/1073389389.db2.gz XANKHFSGILZMNV-IAGOWNOFSA-N 1 3 426.539 -0.218 20 0 IBADHO CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220354776 1073389393 /nfs/dbraw/zinc/38/93/93/1073389393.db2.gz XANKHFSGILZMNV-IRXDYDNUSA-N 1 3 426.539 -0.218 20 0 IBADHO CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220354777 1073389479 /nfs/dbraw/zinc/38/94/79/1073389479.db2.gz XANKHFSGILZMNV-SJORKVTESA-N 1 3 426.539 -0.218 20 0 IBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1)C(N)=O ZINC001220358551 1073389461 /nfs/dbraw/zinc/38/94/61/1073389461.db2.gz UNVGUCQFRBYLQI-DZJNRPSUSA-N 1 3 447.536 -0.341 20 0 IBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)C(N)=O ZINC001220358552 1073389446 /nfs/dbraw/zinc/38/94/46/1073389446.db2.gz UNVGUCQFRBYLQI-DZOHQFGASA-N 1 3 447.536 -0.341 20 0 IBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)C(N)=O ZINC001220358553 1073389521 /nfs/dbraw/zinc/38/95/21/1073389521.db2.gz UNVGUCQFRBYLQI-HPBDAGMYSA-N 1 3 447.536 -0.341 20 0 IBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1)C(N)=O ZINC001220358554 1073389369 /nfs/dbraw/zinc/38/93/69/1073389369.db2.gz UNVGUCQFRBYLQI-OWLYRPNTSA-N 1 3 447.536 -0.341 20 0 IBADHO COC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C(=O)OC(C)(C)C ZINC001220378973 1073390031 /nfs/dbraw/zinc/39/00/31/1073390031.db2.gz JMWKHLOWMSSZQT-KKUMJFAQSA-N 1 3 428.530 -0.177 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC(C)(C)CC[NH+](C)C)C(=O)CF ZINC001220386260 1073389912 /nfs/dbraw/zinc/38/99/12/1073389912.db2.gz MPDCVAAWJYEKRR-ZQIUZPCESA-N 1 3 431.553 -0.266 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC12CC[NH+](CC1)CC2)C(=O)CF ZINC001220394905 1073389850 /nfs/dbraw/zinc/38/98/50/1073389850.db2.gz PUZZYNXCISUVHV-MPGHIAIKSA-N 1 3 441.548 -0.510 20 0 IBADHO Cc1cnc2c(N(CC[NH3+])C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)nc3ccc(C)cc3n12 ZINC001220458560 1073391261 /nfs/dbraw/zinc/39/12/61/1073391261.db2.gz VTEYETPUPWTWGN-ZFWWWQNUSA-N 1 3 440.508 -0.502 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]([NH3+])c1ccccc1)C(=O)CF ZINC001220501879 1073392626 /nfs/dbraw/zinc/39/26/26/1073392626.db2.gz VLGOFMUHSORBMQ-FJXLLPKBSA-N 1 3 437.516 -0.296 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]([NH3+])c1ccccc1)C(=O)CF ZINC001220501880 1073392481 /nfs/dbraw/zinc/39/24/81/1073392481.db2.gz VLGOFMUHSORBMQ-YBKUAAOGSA-N 1 3 437.516 -0.296 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CNCc3ccnn32)[C@@H](O)OC(C)(C)C)C1 ZINC001220505289 1073392381 /nfs/dbraw/zinc/39/23/81/1073392381.db2.gz AGCNNILXRSGSAZ-FAAMRNMBSA-N 1 3 438.573 -0.177 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CNCc3ccnn32)[C@H](O)OC(C)(C)C)C1 ZINC001220505290 1073392527 /nfs/dbraw/zinc/39/25/27/1073392527.db2.gz AGCNNILXRSGSAZ-HJZQSHLLSA-N 1 3 438.573 -0.177 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CNCc3ccnn32)[C@@H](O)OC(C)(C)C)C1 ZINC001220505291 1073392564 /nfs/dbraw/zinc/39/25/64/1073392564.db2.gz AGCNNILXRSGSAZ-NJGAOMSGSA-N 1 3 438.573 -0.177 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CNCc3ccnn32)[C@H](O)OC(C)(C)C)C1 ZINC001220505292 1073392463 /nfs/dbraw/zinc/39/24/63/1073392463.db2.gz AGCNNILXRSGSAZ-YYJCOMGZSA-N 1 3 438.573 -0.177 20 0 IBADHO COC(=O)[C@@H](N)CCC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220505411 1073392889 /nfs/dbraw/zinc/39/28/89/1073392889.db2.gz CDASISDUILXZIK-AZQUSHFISA-N 1 3 432.562 -0.438 20 0 IBADHO COC(=O)[C@@H](N)CCC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220505412 1073392955 /nfs/dbraw/zinc/39/29/55/1073392955.db2.gz CDASISDUILXZIK-FUZQMIKYSA-N 1 3 432.562 -0.438 20 0 IBADHO COC(=O)[C@@H](N)CCC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220505413 1073393098 /nfs/dbraw/zinc/39/30/98/1073393098.db2.gz CDASISDUILXZIK-KDWNQABDSA-N 1 3 432.562 -0.438 20 0 IBADHO COC(=O)[C@@H](N)CCC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220505414 1073393047 /nfs/dbraw/zinc/39/30/47/1073393047.db2.gz CDASISDUILXZIK-SWLGVLRJSA-N 1 3 432.562 -0.438 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnn3c2CNCC3)[C@H](O)OC(C)(C)C)C1 ZINC001220506158 1073394473 /nfs/dbraw/zinc/39/44/73/1073394473.db2.gz LEWIAIWOMDHPIP-FMCFTNBYSA-N 1 3 438.573 -0.105 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnn3c2CNCC3)[C@H](O)OC(C)(C)C)C1 ZINC001220506160 1073394764 /nfs/dbraw/zinc/39/47/64/1073394764.db2.gz LEWIAIWOMDHPIP-JCTFZMBRSA-N 1 3 438.573 -0.105 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnn3c2CNCC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220506161 1073394623 /nfs/dbraw/zinc/39/46/23/1073394623.db2.gz LEWIAIWOMDHPIP-JTVCPLHISA-N 1 3 438.573 -0.105 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnn3c2CNCC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220506162 1073394683 /nfs/dbraw/zinc/39/46/83/1073394683.db2.gz LEWIAIWOMDHPIP-KZTUBPIMSA-N 1 3 438.573 -0.105 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2nnn3c2CNCC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220506824 1073394747 /nfs/dbraw/zinc/39/47/47/1073394747.db2.gz PVPUYUSJBCEVCH-AELFRYFLSA-N 1 3 439.561 -0.710 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2nnn3c2CNCC3)[C@H](O)OC(C)(C)C)C1 ZINC001220506825 1073394710 /nfs/dbraw/zinc/39/47/10/1073394710.db2.gz PVPUYUSJBCEVCH-DPSXKDBOSA-N 1 3 439.561 -0.710 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2nnn3c2CNCC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220506826 1073394494 /nfs/dbraw/zinc/39/44/94/1073394494.db2.gz PVPUYUSJBCEVCH-SVZGUOJNSA-N 1 3 439.561 -0.710 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2nnn3c2CNCC3)[C@H](O)OC(C)(C)C)C1 ZINC001220506827 1073394588 /nfs/dbraw/zinc/39/45/88/1073394588.db2.gz PVPUYUSJBCEVCH-ZGDBRWAVSA-N 1 3 439.561 -0.710 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCNC3)[C@H](O)OC(C)(C)C)C1 ZINC001220507231 1073395959 /nfs/dbraw/zinc/39/59/59/1073395959.db2.gz UOCUUCRCVVDBTL-AODHUNPMSA-N 1 3 438.573 -0.105 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCNC3)[C@H](O)OC(C)(C)C)C1 ZINC001220507232 1073395626 /nfs/dbraw/zinc/39/56/26/1073395626.db2.gz UOCUUCRCVVDBTL-DZKZAWRRSA-N 1 3 438.573 -0.105 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCNC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507233 1073395820 /nfs/dbraw/zinc/39/58/20/1073395820.db2.gz UOCUUCRCVVDBTL-REDDJGESSA-N 1 3 438.573 -0.105 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCNC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507234 1073395981 /nfs/dbraw/zinc/39/59/81/1073395981.db2.gz UOCUUCRCVVDBTL-YYVUJICRSA-N 1 3 438.573 -0.105 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnc3n2CCNC3)[C@H](O)OC(C)(C)C)C1 ZINC001220507475 1073396202 /nfs/dbraw/zinc/39/62/02/1073396202.db2.gz YUZQWBPVCGUMLP-DQWLROJASA-N 1 3 438.573 -0.105 20 0 IBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnc3n2CCNC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507476 1073396503 /nfs/dbraw/zinc/39/65/03/1073396503.db2.gz YUZQWBPVCGUMLP-DUUCEYBISA-N 1 3 438.573 -0.105 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnc3n2CCNC3)[C@H](O)OC(C)(C)C)C1 ZINC001220507477 1073396287 /nfs/dbraw/zinc/39/62/87/1073396287.db2.gz YUZQWBPVCGUMLP-KBVRGVHISA-N 1 3 438.573 -0.105 20 0 IBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnc3n2CCNC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507478 1073396260 /nfs/dbraw/zinc/39/62/60/1073396260.db2.gz YUZQWBPVCGUMLP-RNULLNAKSA-N 1 3 438.573 -0.105 20 0 IBADHO COCCOCCOCCOCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220514572 1073397802 /nfs/dbraw/zinc/39/78/02/1073397802.db2.gz QCBIFTREJVTYTR-ROUUACIJSA-N 1 3 432.562 -0.754 20 0 IBADHO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)cc2)CC1 ZINC001220515805 1073398123 /nfs/dbraw/zinc/39/81/23/1073398123.db2.gz LEVVCQLLOLKIPF-BIPUWPRCSA-N 1 3 432.525 -0.583 20 0 IBADHO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)cc2)CC1 ZINC001220516003 1073398109 /nfs/dbraw/zinc/39/81/09/1073398109.db2.gz OKARSWVWTCHTEN-WIJBEPPQSA-N 1 3 446.552 -0.193 20 0 IBADHO CCOC(=O)C1=C(NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCC[NH2+]2)CCNC1 ZINC001220522811 1073398531 /nfs/dbraw/zinc/39/85/31/1073398531.db2.gz FNWHDROPIATPKF-IRXDYDNUSA-N 1 3 437.541 -0.688 20 0 IBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC001220527108 1073398463 /nfs/dbraw/zinc/39/84/63/1073398463.db2.gz DUUCQHSIJIEGAE-LIRRHRJNSA-N 1 3 428.537 -0.002 20 0 IBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(CC(C)(C)[NH3+])S(=O)(=O)c1ccccc1)C(N)=O ZINC001220535983 1073398845 /nfs/dbraw/zinc/39/88/45/1073398845.db2.gz QZRHDRCQYYDRCC-GXTWGEPZSA-N 1 3 427.527 -0.961 20 0 IBADHO Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)[C@@H](N)CN)nc2C(N)=O)nc1C ZINC001220564783 1073400291 /nfs/dbraw/zinc/40/02/91/1073400291.db2.gz FVXHLPFVBZXJDX-SOUVJXGZSA-N 1 3 441.540 -0.166 20 0 IBADHO CCOC(=O)CN(CC[NH3+])C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N ZINC001220585706 1073401035 /nfs/dbraw/zinc/40/10/35/1073401035.db2.gz VOGNDBHTOWPBSN-JYJNAYRXSA-N 1 3 427.546 -0.794 20 0 IBADHO CCOC(=O)CN(CC[NH3+])C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC001220585771 1073401000 /nfs/dbraw/zinc/40/10/00/1073401000.db2.gz XTMVJJBYQLVWDV-PXNSSMCTSA-N 1 3 449.552 -0.836 20 0 IBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(=O)CF ZINC001220681127 1073402264 /nfs/dbraw/zinc/40/22/64/1073402264.db2.gz WJNLKXOHUBYIBN-GTPBXFKWSA-N 1 3 441.548 -0.323 20 0 IBADHO COc1ccc(CC[NH+]2CCC(NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CC2)cc1 ZINC001220744037 1073403131 /nfs/dbraw/zinc/40/31/31/1073403131.db2.gz ZAYINOWUAZWKAX-HNAYVOBHSA-N 1 3 433.553 -0.084 20 0 IBADHO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H](N)Cc2cncn2C)c2nonc21 ZINC001220745913 1073403165 /nfs/dbraw/zinc/40/31/65/1073403165.db2.gz GRVGQEMEOGOWKJ-LBPRGKRZSA-N 1 3 436.498 -0.932 20 0 IBADHO COC(=O)CC[C@H](N)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220746298 1073403774 /nfs/dbraw/zinc/40/37/74/1073403774.db2.gz VDCOBOJAANMKSX-JTQLQIEISA-N 1 3 428.471 -0.955 20 0 IBADHO COC(=O)CC[C@@H](N)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220746299 1073403841 /nfs/dbraw/zinc/40/38/41/1073403841.db2.gz VDCOBOJAANMKSX-SNVBAGLBSA-N 1 3 428.471 -0.955 20 0 IBADHO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CNCc3ccnn3C2)c2nonc21 ZINC001220746349 1073403808 /nfs/dbraw/zinc/40/38/08/1073403808.db2.gz XCNWCAMAYDVRIU-GFCCVEGCSA-N 1 3 448.509 -0.619 20 0 IBADHO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CNCc3ccnn3C2)c2nonc21 ZINC001220746350 1073403629 /nfs/dbraw/zinc/40/36/29/1073403629.db2.gz XCNWCAMAYDVRIU-LBPRGKRZSA-N 1 3 448.509 -0.619 20 0 IBADHO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2n[nH]c3c2CNCC3)c2nonc21 ZINC001220748446 1073403764 /nfs/dbraw/zinc/40/37/64/1073403764.db2.gz JVVOFKDGTYYMNS-UHFFFAOYSA-N 1 3 434.482 -0.553 20 0 IBADHO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H](N)C2CCOCC2)c2nonc21 ZINC001220749371 1073404381 /nfs/dbraw/zinc/40/43/81/1073404381.db2.gz SRDCVDJMOGZZME-AWEZNQCLSA-N 1 3 426.499 -0.481 20 0 IBADHO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H](N)C2CCC(O)CC2)c2nonc21 ZINC001220749415 1073404412 /nfs/dbraw/zinc/40/44/12/1073404412.db2.gz VDYICOGDHIJPDX-QOZQQMKHSA-N 1 3 440.526 -0.357 20 0 IBADHO CO[C@@H]1CCN[C@H](C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)C1 ZINC001220749725 1073404923 /nfs/dbraw/zinc/40/49/23/1073404923.db2.gz ZGPGFRXEGOAZGT-NEPJUHHUSA-N 1 3 426.499 -0.468 20 0 IBADHO CO[C@H]1CCN[C@@H](C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)C1 ZINC001220749728 1073404880 /nfs/dbraw/zinc/40/48/80/1073404880.db2.gz ZGPGFRXEGOAZGT-NWDGAFQWSA-N 1 3 426.499 -0.468 20 0 IBADHO CO[C@H]1CCN[C@H](C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)C1 ZINC001220749730 1073404756 /nfs/dbraw/zinc/40/47/56/1073404756.db2.gz ZGPGFRXEGOAZGT-RYUDHWBXSA-N 1 3 426.499 -0.468 20 0 IBADHO CO[C@@H]1CCN[C@@H](C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)C1 ZINC001220749732 1073404862 /nfs/dbraw/zinc/40/48/62/1073404862.db2.gz ZGPGFRXEGOAZGT-VXGBXAGGSA-N 1 3 426.499 -0.468 20 0 IBADHO CCOC(=O)C1=C(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)C[NH2+]C1 ZINC001220830064 1073407456 /nfs/dbraw/zinc/40/74/56/1073407456.db2.gz MCCXOUXQUXJPOE-QRTARXTBSA-N 1 3 437.541 -0.608 20 0 IBADHO 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AGICOAHVSBGRFM-GGPKGHCWSA-N 1 3 444.598 -0.660 20 0 IBADHO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](CC[C@@H]3CNCCO3)CC[C@@H]12 ZINC001235491544 1073478130 /nfs/dbraw/zinc/47/81/30/1073478130.db2.gz AGICOAHVSBGRFM-GGPKGHCWSA-N 1 3 444.598 -0.660 20 0 IBADHO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](CC[C@H]3CNCCO3)CC[C@@H]12 ZINC001235491547 1073478022 /nfs/dbraw/zinc/47/80/22/1073478022.db2.gz AGICOAHVSBGRFM-NSHGMRRFSA-N 1 3 444.598 -0.660 20 0 IBADHO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](CC[C@H]3CNCCO3)CC[C@@H]12 ZINC001235491547 1073478016 /nfs/dbraw/zinc/47/80/16/1073478016.db2.gz AGICOAHVSBGRFM-NSHGMRRFSA-N 1 3 444.598 -0.660 20 0 IBADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C[C@@H]1O[C@H]3OC(C)(C)O[C@H]3[C@@H]1O)CC2 ZINC001235568964 1073479554 /nfs/dbraw/zinc/47/95/54/1073479554.db2.gz NEMGNXCBTOCDNB-MHORFTMASA-N 1 3 426.558 -0.606 20 0 IBADHO CN(CCC[NH3+])CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238615595 1073489038 /nfs/dbraw/zinc/48/90/38/1073489038.db2.gz WZAOZVWVJINLEW-UHFFFAOYSA-N 1 3 434.584 -0.344 20 0 IBADHO O=C1O[C@@H](CNC[C@H](O)CC2(O)CC[NH2+]CC2)CN1c1ccc(N2CCOCC2=O)cc1 ZINC001245983291 1073499741 /nfs/dbraw/zinc/49/97/41/1073499741.db2.gz HTDHQPHSIMVLNM-MOPGFXCFSA-N 1 3 448.520 -0.170 20 0 IBADHO O=C1O[C@@H](CNC[C@@H](O)CC2(O)CC[NH2+]CC2)CN1c1ccc(N2CCOCC2=O)cc1 ZINC001245983309 1073499802 /nfs/dbraw/zinc/49/98/02/1073499802.db2.gz HTDHQPHSIMVLNM-OALUTQOASA-N 1 3 448.520 -0.170 20 0 IBADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]CCOCCOCCOCCOCCOCCO ZINC001245997818 1073500455 /nfs/dbraw/zinc/50/04/55/1073500455.db2.gz ZIYFCEWVLQEZBV-FCHUYYIVSA-N 1 3 444.569 -0.418 20 0 IBADHO Cc1cn(CC(=O)NCC[NH2+]C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)c(=O)[nH]c1=O ZINC001245998193 1073500495 /nfs/dbraw/zinc/50/04/95/1073500495.db2.gz DMNVOPVWCDFUFD-JKSUJKDBSA-N 1 3 425.436 -0.828 20 0 IBADHO O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](C[C@@]1(O)CCCNC1)CCC2 ZINC001246031285 1073501116 /nfs/dbraw/zinc/50/11/16/1073501116.db2.gz HUFLZZNLPKHQCD-PMOQBDJRSA-N 1 3 444.580 -0.032 20 0 IBADHO O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](C[C@@]1(O)CCCNC1)CCC2 ZINC001246031285 1073501104 /nfs/dbraw/zinc/50/11/04/1073501104.db2.gz HUFLZZNLPKHQCD-PMOQBDJRSA-N 1 3 444.580 -0.032 20 0 IBADHO O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](C[C@]1(O)CCCNC1)CCC2 ZINC001246031327 1073501079 /nfs/dbraw/zinc/50/10/79/1073501079.db2.gz HUFLZZNLPKHQCD-VJBMBRPKSA-N 1 3 444.580 -0.032 20 0 IBADHO O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](C[C@]1(O)CCCNC1)CCC2 ZINC001246031327 1073501069 /nfs/dbraw/zinc/50/10/69/1073501069.db2.gz HUFLZZNLPKHQCD-VJBMBRPKSA-N 1 3 444.580 -0.032 20 0 IBADHO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246039414 1073501275 /nfs/dbraw/zinc/50/12/75/1073501275.db2.gz IVGXTLLJFCMVCE-CTNGQTDRSA-N 1 3 431.537 -0.413 20 0 IBADHO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246039415 1073501887 /nfs/dbraw/zinc/50/18/87/1073501887.db2.gz IVGXTLLJFCMVCE-FPOVZHCZSA-N 1 3 431.537 -0.413 20 0 IBADHO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246039416 1073501975 /nfs/dbraw/zinc/50/19/75/1073501975.db2.gz IVGXTLLJFCMVCE-PZJWPPBQSA-N 1 3 431.537 -0.413 20 0 IBADHO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246039417 1073502225 /nfs/dbraw/zinc/50/22/25/1073502225.db2.gz IVGXTLLJFCMVCE-TZIWHRDSSA-N 1 3 431.537 -0.413 20 0 IBADHO COC(=O)c1cc2c(nc1N1CCOCC1)CCN(C[C@H](O)CC1(O)CC[NH2+]CC1)CC2 ZINC001246039772 1073502082 /nfs/dbraw/zinc/50/20/82/1073502082.db2.gz JEZVWIGNXWVNCY-GOSISDBHSA-N 1 3 448.564 -0.029 20 0 IBADHO COC(=O)c1cc2c(nc1N1CCOCC1)CCN(C[C@@H](O)CC1(O)CC[NH2+]CC1)CC2 ZINC001246039775 1073501961 /nfs/dbraw/zinc/50/19/61/1073501961.db2.gz JEZVWIGNXWVNCY-SFHVURJKSA-N 1 3 448.564 -0.029 20 0 IBADHO O=C(NC[C@@H]1CC[C@]2(COCCN(C[C@H](O)CC3(O)CC[NH2+]CC3)C2)O1)c1cnccn1 ZINC001246040409 1073502115 /nfs/dbraw/zinc/50/21/15/1073502115.db2.gz NWJNYJNVCYKPFJ-FGSXEWAUSA-N 1 3 449.552 -0.678 20 0 IBADHO O=C(NC[C@H]1CC[C@]2(COCCN(C[C@H](O)CC3(O)CC[NH2+]CC3)C2)O1)c1cnccn1 ZINC001246040416 1073502016 /nfs/dbraw/zinc/50/20/16/1073502016.db2.gz NWJNYJNVCYKPFJ-HMFYCAOWSA-N 1 3 449.552 -0.678 20 0 IBADHO O=C(NC[C@@H]1CC[C@]2(COCCN(C[C@@H](O)CC3(O)CC[NH2+]CC3)C2)O1)c1cnccn1 ZINC001246040417 1073502051 /nfs/dbraw/zinc/50/20/51/1073502051.db2.gz NWJNYJNVCYKPFJ-SPEDKVCISA-N 1 3 449.552 -0.678 20 0 IBADHO O=C(NC[C@H]1CC[C@]2(COCCN(C[C@@H](O)CC3(O)CC[NH2+]CC3)C2)O1)c1cnccn1 ZINC001246040419 1073502199 /nfs/dbraw/zinc/50/21/99/1073502199.db2.gz NWJNYJNVCYKPFJ-SVMVAKDDSA-N 1 3 449.552 -0.678 20 0 IBADHO CN(C)C(=O)CN1C[C@H]2CC[N@@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)CC[C@H]2S1(=O)=O ZINC001246041570 1073502823 /nfs/dbraw/zinc/50/28/23/1073502823.db2.gz AWNJFCXYCAAKGV-IYWMVGAKSA-N 1 3 438.594 -0.269 20 0 IBADHO CN(C)C(=O)CN1C[C@H]2CC[N@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)CC[C@H]2S1(=O)=O ZINC001246041570 1073502817 /nfs/dbraw/zinc/50/28/17/1073502817.db2.gz AWNJFCXYCAAKGV-IYWMVGAKSA-N 1 3 438.594 -0.269 20 0 IBADHO Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246042162 1073502883 /nfs/dbraw/zinc/50/28/83/1073502883.db2.gz PPIBDDCKFXCCDK-AVRDEDQJSA-N 1 3 447.580 -0.039 20 0 IBADHO Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CCN(C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246042176 1073502742 /nfs/dbraw/zinc/50/27/42/1073502742.db2.gz PPIBDDCKFXCCDK-GCJKJVERSA-N 1 3 447.580 -0.039 20 0 IBADHO Cc1nc(N2CCOCC2)nc2c1COC[C@]21CCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246042180 1073502984 /nfs/dbraw/zinc/50/29/84/1073502984.db2.gz PPIBDDCKFXCCDK-PGRDOPGGSA-N 1 3 447.580 -0.039 20 0 IBADHO Cc1nc(N2CCOCC2)nc2c1COC[C@]21CCN(C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246042183 1073503722 /nfs/dbraw/zinc/50/37/22/1073503722.db2.gz PPIBDDCKFXCCDK-XMSQKQJNSA-N 1 3 447.580 -0.039 20 0 IBADHO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCc1nnn2c1C[NH2+]CCC2 ZINC001246134325 1073505851 /nfs/dbraw/zinc/50/58/51/1073505851.db2.gz QPXRNOJNZYDNOG-AWEZNQCLSA-N 1 3 429.529 -0.133 20 0 IBADHO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCc1nnn2c1C[NH2+]CCC2 ZINC001246134372 1073505705 /nfs/dbraw/zinc/50/57/05/1073505705.db2.gz QPXRNOJNZYDNOG-CQSZACIVSA-N 1 3 429.529 -0.133 20 0 IBADHO CC[C@]1(C(=O)OC)C[C@H](NCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246272147 1073507125 /nfs/dbraw/zinc/50/71/25/1073507125.db2.gz HZUOTCVIJBIRKA-AZUAARDMSA-N 1 3 435.562 -0.699 20 0 IBADHO CC[C@@]1(C(=O)OC)C[C@H](NCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246272149 1073507181 /nfs/dbraw/zinc/50/71/81/1073507181.db2.gz HZUOTCVIJBIRKA-ICSRJNTNSA-N 1 3 435.562 -0.699 20 0 IBADHO CC[C@@]1(C(=O)OC)C[C@@H](NCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246272151 1073507143 /nfs/dbraw/zinc/50/71/43/1073507143.db2.gz HZUOTCVIJBIRKA-QUCCMNQESA-N 1 3 435.562 -0.699 20 0 IBADHO CC[C@]1(C(=O)OC)C[C@@H](NCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246272153 1073506860 /nfs/dbraw/zinc/50/68/60/1073506860.db2.gz HZUOTCVIJBIRKA-UYAOXDASSA-N 1 3 435.562 -0.699 20 0 IBADHO CC(C)(C)OC(=O)[C@@H]1C[C@@H](NCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246273876 1073507532 /nfs/dbraw/zinc/50/75/32/1073507532.db2.gz LVGUNZVIEFWLAN-MOPGFXCFSA-N 1 3 449.589 -0.310 20 0 IBADHO CC(C)(C)OC(=O)[C@@H]1C[C@H](NCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246273877 1073507592 /nfs/dbraw/zinc/50/75/92/1073507592.db2.gz LVGUNZVIEFWLAN-OALUTQOASA-N 1 3 449.589 -0.310 20 0 IBADHO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN[C@H]1CSC2(C[NH2+]C2)C1)C(N)=O ZINC001246449669 1073511037 /nfs/dbraw/zinc/51/10/37/1073511037.db2.gz PPWLGKPZERZDEC-ILXRZTDVSA-N 1 3 445.655 -0.322 20 0 IBADHO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN[C@@H]1CSC2(C[NH2+]C2)C1)C(N)=O ZINC001246449687 1073510908 /nfs/dbraw/zinc/51/09/08/1073510908.db2.gz PPWLGKPZERZDEC-KKUMJFAQSA-N 1 3 445.655 -0.322 20 0 IBADHO CNC(=O)[C@H](CCCNC(=[NH2+])NC1CCS(=O)(=O)CC1)NC(=O)[C@@H](N)CC(C)C ZINC001246511885 1073512538 /nfs/dbraw/zinc/51/25/38/1073512538.db2.gz DGSRCZNLJIZZEB-GJZGRUSLSA-N 1 3 432.591 -0.938 20 0 IBADHO CCOC(=O)N1CC[C@H](NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)NC)C1 ZINC001246512129 1073512446 /nfs/dbraw/zinc/51/24/46/1073512446.db2.gz FFGYWMYBALCPMD-JYJNAYRXSA-N 1 3 441.577 -0.284 20 0 IBADHO CCOC(=O)N1CC[C@@H](NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)NC)C1 ZINC001246512135 1073512043 /nfs/dbraw/zinc/51/20/43/1073512043.db2.gz FFGYWMYBALCPMD-PMPSAXMXSA-N 1 3 441.577 -0.284 20 0 IBADHO CNC(=O)[C@H](CCCNC(=[NH2+])NC1CCN(C(C)=O)CC1)NC(=O)[C@@H](N)CC(C)C ZINC001246516774 1073512508 /nfs/dbraw/zinc/51/25/08/1073512508.db2.gz ZVNHTSGEVXYSJA-IRXDYDNUSA-N 1 3 425.578 -0.504 20 0 IBADHO CNC(=O)[C@H](CCCNC(=[NH2+])N[C@@H]1CCCN(C(C)=O)C1)NC(=O)[C@@H](N)CC(C)C ZINC001246519210 1073512897 /nfs/dbraw/zinc/51/28/97/1073512897.db2.gz JIMXNZGQBHFUBK-IKGGRYGDSA-N 1 3 425.578 -0.504 20 0 IBADHO CNC(=O)[C@H](CCCNC(=[NH2+])N[C@H]1CCCN(C(C)=O)C1)NC(=O)[C@@H](N)CC(C)C ZINC001246519211 1073512968 /nfs/dbraw/zinc/51/29/68/1073512968.db2.gz JIMXNZGQBHFUBK-ULQDDVLXSA-N 1 3 425.578 -0.504 20 0 IBADHO CNC(=O)[C@H](CCCNC(=[NH2+])N[C@H]1CC[C@@H](C(=O)OC)C1)NC(=O)[C@@H](N)CC(C)C ZINC001246519450 1073512832 /nfs/dbraw/zinc/51/28/32/1073512832.db2.gz KIWUNAGOAFDALD-UGUYLWEFSA-N 1 3 426.562 -0.174 20 0 IBADHO CNC(=O)[C@H](CCCNC(=[NH2+])N[C@@H]1CC[C@@H](C(=O)OC)C1)NC(=O)[C@@H](N)CC(C)C ZINC001246519451 1073513065 /nfs/dbraw/zinc/51/30/65/1073513065.db2.gz KIWUNAGOAFDALD-WCVJEAGWSA-N 1 3 426.562 -0.174 20 0 IBADHO CNC(=O)[C@H](CCCNC(=[NH2+])N[C@@H]1CCN2C(=O)CC[C@@H]2C1)NC(=O)[C@@H](N)CC(C)C ZINC001246522350 1073512803 /nfs/dbraw/zinc/51/28/03/1073512803.db2.gz NGGONALNPBVGPC-NCOADZHNSA-N 1 3 437.589 -0.362 20 0 IBADHO CNC(=O)[C@H](CCCNC(=[NH2+])N[C@H]1CCN2C(=O)CC[C@H]2C1)NC(=O)[C@@H](N)CC(C)C ZINC001246522358 1073513082 /nfs/dbraw/zinc/51/30/82/1073513082.db2.gz NGGONALNPBVGPC-QAETUUGQSA-N 1 3 437.589 -0.362 20 0 IBADHO CNC(=O)[C@H](CCCNC(=[NH2+])N[C@@H]1CCN2C(=O)CC[C@H]2C1)NC(=O)[C@@H](N)CC(C)C ZINC001246522363 1073513031 /nfs/dbraw/zinc/51/30/31/1073513031.db2.gz NGGONALNPBVGPC-QZWWFDLISA-N 1 3 437.589 -0.362 20 0 IBADHO CNC(=O)[C@H](CCCNC(=[NH2+])N[C@H]1CCN2C(=O)CC[C@@H]2C1)NC(=O)[C@@H](N)CC(C)C ZINC001246522368 1073513016 /nfs/dbraw/zinc/51/30/16/1073513016.db2.gz NGGONALNPBVGPC-YVSFHVDLSA-N 1 3 437.589 -0.362 20 0 IBADHO CNC(=O)[C@H](CCCNC(=[NH2+])NC1CCN(C(=O)OC)CC1)NC(=O)[C@@H](N)CC(C)C ZINC001246524174 1073512985 /nfs/dbraw/zinc/51/29/85/1073512985.db2.gz PDZSAZKHGKKUEF-HOTGVXAUSA-N 1 3 441.577 -0.284 20 0 IBADHO CNC(=O)[C@H](CCCNC(=[NH2+])NC1C[C@@H]2COC[C@H](C1)N2C)NC(=O)[C@@H](N)CC(C)C ZINC001246524252 1073512952 /nfs/dbraw/zinc/51/29/52/1073512952.db2.gz PWLRNKFWEZDVMO-KKGYMGPXSA-N 1 3 439.605 -0.654 20 0 IBADHO CNC(=O)[C@H](CCCNC(=[NH2+])N[C@@H]1CCN(C2CC2)C(=O)C1)NC(=O)[C@@H](N)CC(C)C ZINC001246526045 1073513481 /nfs/dbraw/zinc/51/34/81/1073513481.db2.gz UNELGLPLVWSGHA-PVAVHDDUSA-N 1 3 437.589 -0.362 20 0 IBADHO CNC(=O)[C@H](CCCNC(=[NH2+])N[C@H]1CCN(C2CC2)C(=O)C1)NC(=O)[C@@H](N)CC(C)C ZINC001246526046 1073513658 /nfs/dbraw/zinc/51/36/58/1073513658.db2.gz UNELGLPLVWSGHA-XIRDDKMYSA-N 1 3 437.589 -0.362 20 0 IBADHO CCN1CC[C@H](NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)NC)CC1=O ZINC001246526978 1073513884 /nfs/dbraw/zinc/51/38/84/1073513884.db2.gz XDHINLJIEDPQOA-JYJNAYRXSA-N 1 3 425.578 -0.504 20 0 IBADHO CCN1CC[C@@H](NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)NC)CC1=O ZINC001246526980 1073513622 /nfs/dbraw/zinc/51/36/22/1073513622.db2.gz XDHINLJIEDPQOA-PMPSAXMXSA-N 1 3 425.578 -0.504 20 0 IBADHO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246628773 1073513702 /nfs/dbraw/zinc/51/37/02/1073513702.db2.gz OTJWQXZYDCXNHL-IVZQSRNASA-N 1 3 443.552 -0.596 20 0 IBADHO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246628773 1073513690 /nfs/dbraw/zinc/51/36/90/1073513690.db2.gz OTJWQXZYDCXNHL-IVZQSRNASA-N 1 3 443.552 -0.596 20 0 IBADHO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246628784 1073514149 /nfs/dbraw/zinc/51/41/49/1073514149.db2.gz OTJWQXZYDCXNHL-NYHFZMIOSA-N 1 3 443.552 -0.596 20 0 IBADHO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246628784 1073514140 /nfs/dbraw/zinc/51/41/40/1073514140.db2.gz OTJWQXZYDCXNHL-NYHFZMIOSA-N 1 3 443.552 -0.596 20 0 IBADHO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246628800 1073514397 /nfs/dbraw/zinc/51/43/97/1073514397.db2.gz OTJWQXZYDCXNHL-OYHNWAKOSA-N 1 3 443.552 -0.596 20 0 IBADHO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246628800 1073514389 /nfs/dbraw/zinc/51/43/89/1073514389.db2.gz OTJWQXZYDCXNHL-OYHNWAKOSA-N 1 3 443.552 -0.596 20 0 IBADHO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246628802 1073514357 /nfs/dbraw/zinc/51/43/57/1073514357.db2.gz OTJWQXZYDCXNHL-QRQCRPRQSA-N 1 3 443.552 -0.596 20 0 IBADHO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246628802 1073514345 /nfs/dbraw/zinc/51/43/45/1073514345.db2.gz OTJWQXZYDCXNHL-QRQCRPRQSA-N 1 3 443.552 -0.596 20 0 IBADHO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246630587 1073514320 /nfs/dbraw/zinc/51/43/20/1073514320.db2.gz TWFABOPIEJQHDU-HNNXBMFYSA-N 1 3 431.541 -0.454 20 0 IBADHO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246630588 1073514573 /nfs/dbraw/zinc/51/45/73/1073514573.db2.gz TWFABOPIEJQHDU-OAHLLOKOSA-N 1 3 431.541 -0.454 20 0 IBADHO O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2CN([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246705839 1073516026 /nfs/dbraw/zinc/51/60/26/1073516026.db2.gz KKWVNQLXTCWJOT-IXDOHACOSA-N 1 3 434.566 -0.897 20 0 IBADHO O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2CN([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246705845 1073515976 /nfs/dbraw/zinc/51/59/76/1073515976.db2.gz KKWVNQLXTCWJOT-YESZJQIVSA-N 1 3 434.566 -0.897 20 0 IBADHO CN1CCN(C[C@H]2Cn3ccnc3CN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)CC1 ZINC001246758462 1073521977 /nfs/dbraw/zinc/52/19/77/1073521977.db2.gz XXRDUUPHYHHXKB-FHWLQOOXSA-N 1 3 433.626 -0.174 20 0 IBADHO CN1CCN(C[C@H]2Cn3ccnc3CN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)CC1 ZINC001246758463 1073521830 /nfs/dbraw/zinc/52/18/30/1073521830.db2.gz XXRDUUPHYHHXKB-OTWHNJEPSA-N 1 3 433.626 -0.174 20 0 IBADHO CN1CCN(C[C@@H]2Cn3ccnc3CN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)CC1 ZINC001246758464 1073521878 /nfs/dbraw/zinc/52/18/78/1073521878.db2.gz XXRDUUPHYHHXKB-QRVBRYPASA-N 1 3 433.626 -0.174 20 0 IBADHO CN1CCN(C[C@@H]2Cn3ccnc3CN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)CC1 ZINC001246758466 1073521686 /nfs/dbraw/zinc/52/16/86/1073521686.db2.gz XXRDUUPHYHHXKB-QYZOEREBSA-N 1 3 433.626 -0.174 20 0 IBADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C1CCC2(CC1)C[NH2+]CCO2)C(=O)NCC(N)=O ZINC001246830930 1073524966 /nfs/dbraw/zinc/52/49/66/1073524966.db2.gz JDPXWYGYRQWENT-RKQJOMJXSA-N 1 3 437.585 -0.116 20 0 IBADHO CN(C)S(=O)(=O)c1ccc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)c2nonc21 ZINC001246920686 1073526477 /nfs/dbraw/zinc/52/64/77/1073526477.db2.gz FABCIGDKJHSHEH-AWEZNQCLSA-N 1 3 435.554 -0.311 20 0 IBADHO CN(C)S(=O)(=O)c1ccc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)c2nonc21 ZINC001246920693 1073526658 /nfs/dbraw/zinc/52/66/58/1073526658.db2.gz FABCIGDKJHSHEH-CQSZACIVSA-N 1 3 435.554 -0.311 20 0 IBADHO C[NH+]1CCC(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)(N2CCOCC2)CC1 ZINC001251865588 1073553446 /nfs/dbraw/zinc/55/34/46/1073553446.db2.gz LMUZBCXXIAYRKV-UHFFFAOYSA-N 1 3 436.601 -0.267 20 0 IBADHO NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254055323 1073575394 /nfs/dbraw/zinc/57/53/94/1073575394.db2.gz NRUBDLODLFVHMQ-SFHVURJKSA-N 1 3 431.537 -0.804 20 0 IBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@@H]1CCCOC1)C(N)=O ZINC001254375799 1073586293 /nfs/dbraw/zinc/58/62/93/1073586293.db2.gz SPSXQCQISKKWQG-OWSLCNJRSA-N 1 3 425.574 -0.130 20 0 IBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@H]1CCCOC1)C(N)=O ZINC001254375800 1073586321 /nfs/dbraw/zinc/58/63/21/1073586321.db2.gz SPSXQCQISKKWQG-XSLAGTTESA-N 1 3 425.574 -0.130 20 0 IBADHO NC(=O)CNC(=O)[C@H](Cc1cn(C2CCC3(CC3)CC2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001254440629 1073587055 /nfs/dbraw/zinc/58/70/55/1073587055.db2.gz XFGDBENDIGGMJW-ROUUACIJSA-N 1 3 447.584 -0.137 20 0 IBADHO NC(=O)CNC(=O)[C@H](Cc1cn(C2CCSCC2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001255088164 1073592942 /nfs/dbraw/zinc/59/29/42/1073592942.db2.gz OOHZUDJVTJSSKE-HOTGVXAUSA-N 1 3 439.586 -0.964 20 0 IBADHO C[C@@H](CC(F)(F)F)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001255647026 1073598138 /nfs/dbraw/zinc/59/81/38/1073598138.db2.gz UYBCDSYELVBGBX-UBHSHLNASA-N 1 3 449.478 -0.518 20 0 IBADHO C[C@H](CC(F)(F)F)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001255647027 1073598054 /nfs/dbraw/zinc/59/80/54/1073598054.db2.gz UYBCDSYELVBGBX-XBFCOCLRSA-N 1 3 449.478 -0.518 20 0 IBADHO NC(=O)CNC(=O)[C@H](Cc1cn(C2CCCCCC2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001255886989 1073599107 /nfs/dbraw/zinc/59/91/07/1073599107.db2.gz KYINYZIAFJWRDJ-ROUUACIJSA-N 1 3 435.573 -0.137 20 0 IBADHO CC(C)CC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001256366953 1073603821 /nfs/dbraw/zinc/60/38/21/1073603821.db2.gz TZQTVIOXQAUUPM-NJAFHUGGSA-N 1 3 437.589 -0.035 20 0 IBADHO CC(C)CC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001256366954 1073603920 /nfs/dbraw/zinc/60/39/20/1073603920.db2.gz TZQTVIOXQAUUPM-SZMVWBNQSA-N 1 3 437.589 -0.035 20 0 IBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCCSC2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001257667999 1073612491 /nfs/dbraw/zinc/61/24/91/1073612491.db2.gz LDOKHDAVZYSVAV-JYJNAYRXSA-N 1 3 439.586 -0.964 20 0 IBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCCSC2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001257668003 1073612532 /nfs/dbraw/zinc/61/25/32/1073612532.db2.gz LDOKHDAVZYSVAV-PMPSAXMXSA-N 1 3 439.586 -0.964 20 0 IBADHO C[C@@H]1CC(n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C[C@@H](C)C1 ZINC001258165445 1073617531 /nfs/dbraw/zinc/61/75/31/1073617531.db2.gz ZOTLLDQNFMRUNS-LNMJFAINSA-N 1 3 449.600 -0.035 20 0 IBADHO C[C@H]1CC(n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C[C@H](C)C1 ZINC001258165446 1073617713 /nfs/dbraw/zinc/61/77/13/1073617713.db2.gz ZOTLLDQNFMRUNS-LTDCPUDJSA-N 1 3 449.600 -0.035 20 0 IBADHO C[C@H]1C[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C[C@@H](C)C1 ZINC001258165447 1073617597 /nfs/dbraw/zinc/61/75/97/1073617597.db2.gz ZOTLLDQNFMRUNS-XJWCYLOLSA-N 1 3 449.600 -0.035 20 0 IBADHO C[C@H](Cc1ccco1)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258184834 1073617522 /nfs/dbraw/zinc/61/75/22/1073617522.db2.gz JPRCZNOGXBECNL-JLSDUUJJSA-N 1 3 447.540 -0.635 20 0 IBADHO C[C@@H](Cc1ccco1)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258184836 1073617700 /nfs/dbraw/zinc/61/77/00/1073617700.db2.gz JPRCZNOGXBECNL-WBAXXEDZSA-N 1 3 447.540 -0.635 20 0 IBADHO CSCC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258213503 1073618345 /nfs/dbraw/zinc/61/83/45/1073618345.db2.gz QUQLBHJBIJJWHV-BPUTZDHNSA-N 1 3 441.602 -0.718 20 0 IBADHO CSCC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258213504 1073618317 /nfs/dbraw/zinc/61/83/17/1073618317.db2.gz QUQLBHJBIJJWHV-KBMXLJTQSA-N 1 3 441.602 -0.718 20 0 IBADHO CC1(C)CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001258603036 1073620012 /nfs/dbraw/zinc/62/00/12/1073620012.db2.gz SLMOZXXJPWBWAU-IKGGRYGDSA-N 1 3 435.573 -0.281 20 0 IBADHO CC1(C)CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001258603042 1073619744 /nfs/dbraw/zinc/61/97/44/1073619744.db2.gz SLMOZXXJPWBWAU-ULQDDVLXSA-N 1 3 435.573 -0.281 20 0 IBADHO C[C@@H]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001258816320 1073620558 /nfs/dbraw/zinc/62/05/58/1073620558.db2.gz BMZVJUFGECIDJF-BGTYHANMSA-N 1 3 435.573 -0.281 20 0 IBADHO C[C@H]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001258816321 1073620642 /nfs/dbraw/zinc/62/06/42/1073620642.db2.gz BMZVJUFGECIDJF-DKIMLUQUSA-N 1 3 435.573 -0.281 20 0 IBADHO C[C@H]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001258816322 1073620523 /nfs/dbraw/zinc/62/05/23/1073620523.db2.gz BMZVJUFGECIDJF-RANZSIQMSA-N 1 3 435.573 -0.281 20 0 IBADHO C[C@@H]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001258816323 1073620621 /nfs/dbraw/zinc/62/06/21/1073620621.db2.gz BMZVJUFGECIDJF-UBDQQSCGSA-N 1 3 435.573 -0.281 20 0 IBADHO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288873309 1073719503 /nfs/dbraw/zinc/71/95/03/1073719503.db2.gz ZDFWDUVHNSFHMM-BEFAXECRSA-N 1 3 441.602 -0.513 20 0 IBADHO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288873309 1073719500 /nfs/dbraw/zinc/71/95/00/1073719500.db2.gz ZDFWDUVHNSFHMM-BEFAXECRSA-N 1 3 441.602 -0.513 20 0 IBADHO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288873310 1073719629 /nfs/dbraw/zinc/71/96/29/1073719629.db2.gz ZDFWDUVHNSFHMM-DNVCBOLYSA-N 1 3 441.602 -0.513 20 0 IBADHO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288873310 1073719624 /nfs/dbraw/zinc/71/96/24/1073719624.db2.gz ZDFWDUVHNSFHMM-DNVCBOLYSA-N 1 3 441.602 -0.513 20 0 IBADHO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288873311 1073719577 /nfs/dbraw/zinc/71/95/77/1073719577.db2.gz ZDFWDUVHNSFHMM-HNAYVOBHSA-N 1 3 441.602 -0.513 20 0 IBADHO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288873311 1073719573 /nfs/dbraw/zinc/71/95/73/1073719573.db2.gz ZDFWDUVHNSFHMM-HNAYVOBHSA-N 1 3 441.602 -0.513 20 0 IBADHO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288873312 1073719649 /nfs/dbraw/zinc/71/96/49/1073719649.db2.gz ZDFWDUVHNSFHMM-KXBFYZLASA-N 1 3 441.602 -0.513 20 0 IBADHO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288873312 1073719644 /nfs/dbraw/zinc/71/96/44/1073719644.db2.gz ZDFWDUVHNSFHMM-KXBFYZLASA-N 1 3 441.602 -0.513 20 0 IBADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001290939613 1073734802 /nfs/dbraw/zinc/73/48/02/1073734802.db2.gz RNTVZKUYINKWGX-KRWDZBQOSA-N 1 3 428.599 -0.008 20 0 IBADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001290939614 1073735043 /nfs/dbraw/zinc/73/50/43/1073735043.db2.gz RNTVZKUYINKWGX-QGZVFWFLSA-N 1 3 428.599 -0.008 20 0 IBADHO CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001297261586 1073796283 /nfs/dbraw/zinc/79/62/83/1073796283.db2.gz OURIHJSSBNANSK-NRFANRHFSA-N 1 3 435.573 -0.374 20 0 IBADHO CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001297261586 1073796274 /nfs/dbraw/zinc/79/62/74/1073796274.db2.gz OURIHJSSBNANSK-NRFANRHFSA-N 1 3 435.573 -0.374 20 0 IBADHO CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001297261587 1073796444 /nfs/dbraw/zinc/79/64/44/1073796444.db2.gz OURIHJSSBNANSK-OAQYLSRUSA-N 1 3 435.573 -0.374 20 0 IBADHO CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001297261587 1073796433 /nfs/dbraw/zinc/79/64/33/1073796433.db2.gz OURIHJSSBNANSK-OAQYLSRUSA-N 1 3 435.573 -0.374 20 0 IBADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](N4C(=O)CNC4=O)C[C@H]3C(=O)OC)CC2)CC1 ZINC001301132129 1073858145 /nfs/dbraw/zinc/85/81/45/1073858145.db2.gz ODMYBBGNHGTTGB-ROUUACIJSA-N 1 3 449.552 -0.123 20 0 IBADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)CC1 ZINC001318113372 1074154405 /nfs/dbraw/zinc/15/44/05/1074154405.db2.gz JXCKEXQUYXZDTP-CRAIPNDOSA-N 1 3 426.583 -0.303 20 0 IBADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)CC1 ZINC001318113373 1074154391 /nfs/dbraw/zinc/15/43/91/1074154391.db2.gz JXCKEXQUYXZDTP-MAUKXSAKSA-N 1 3 426.583 -0.303 20 0 IBADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)CC1 ZINC001318113374 1074154340 /nfs/dbraw/zinc/15/43/40/1074154340.db2.gz JXCKEXQUYXZDTP-QAPCUYQASA-N 1 3 426.583 -0.303 20 0 IBADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)CC1 ZINC001318113375 1074154444 /nfs/dbraw/zinc/15/44/44/1074154444.db2.gz JXCKEXQUYXZDTP-YJBOKZPZSA-N 1 3 426.583 -0.303 20 0 IBADHO C[NH+]1CCC(N2CCC(NC(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001318291053 1074158681 /nfs/dbraw/zinc/15/86/81/1074158681.db2.gz VBAJTNWRASWBFU-INIZCTEOSA-N 1 3 429.587 -0.462 20 0 IBADHO C[NH+]1CCC(N2CCC(NC(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001318291054 1074158794 /nfs/dbraw/zinc/15/87/94/1074158794.db2.gz VBAJTNWRASWBFU-MRXNPFEDSA-N 1 3 429.587 -0.462 20 0 IBADHO CN1C(=O)NC2(CCN(CCOCC[NH+]3CCC4(CC3)NC(=O)N(C)C4=O)CC2)C1=O ZINC001319773282 1074202310 /nfs/dbraw/zinc/20/23/10/1074202310.db2.gz DYVVODFLEKJGBK-UHFFFAOYSA-N 1 3 436.513 -0.965 20 0 IBADHO C[NH+]1CCC(N2CCC(NC(=O)NCCNS(=O)(=O)Cc3ccon3)CC2)CC1 ZINC001322351152 1074245023 /nfs/dbraw/zinc/24/50/23/1074245023.db2.gz YHJSTKVBOYCJPV-UHFFFAOYSA-N 1 3 428.559 -0.048 20 0 IBADHO CN1CCN(C2CN(C(=O)[C@@H]3CCCC[C@H]3C(=O)N3CC(N4CC[NH+](C)CC4)C3)C2)CC1 ZINC001324387855 1074268615 /nfs/dbraw/zinc/26/86/15/1074268615.db2.gz OETJJJYJUYTQLD-FGZHOGPDSA-N 1 3 446.640 -0.291 20 0 IBADHO O=C(CN1C[C@H]2CCC[C@@H](C1)C2O)N1CCN(C(=O)C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC001340801077 1074319309 /nfs/dbraw/zinc/31/93/09/1074319309.db2.gz LTBPOJZNKBJKOH-FJAPILEGSA-N 1 3 448.608 -0.157 20 0 IBADHO O=C(CN1C[C@H]2CCC[C@@H](C1)C2O)N1CCN(C(=O)C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC001340801077 1074319303 /nfs/dbraw/zinc/31/93/03/1074319303.db2.gz LTBPOJZNKBJKOH-FJAPILEGSA-N 1 3 448.608 -0.157 20 0 IBADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C(=O)N3CCS(=O)(=O)CC3)CC2)CC1 ZINC001343984076 1074326747 /nfs/dbraw/zinc/32/67/47/1074326747.db2.gz XGFVHJRXSFIGFM-INIZCTEOSA-N 1 3 428.599 -0.056 20 0 IBADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C(=O)N3CCS(=O)(=O)CC3)CC2)CC1 ZINC001343984077 1074326658 /nfs/dbraw/zinc/32/66/58/1074326658.db2.gz XGFVHJRXSFIGFM-MRXNPFEDSA-N 1 3 428.599 -0.056 20 0 IBADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(S(=O)(=O)c4nc[nH]n4)CC3)CC2)CC1 ZINC001347723181 1074332129 /nfs/dbraw/zinc/33/21/29/1074332129.db2.gz FEDVSNLWMJPJJL-UHFFFAOYSA-N 1 3 439.586 -0.166 20 0 IBADHO