smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300651694 1069336315 /nfs/dbraw/zinc/33/63/15/1069336315.db2.gz BVDZNVKNAHGCRI-LXFBAYGMSA-N 2 1 498.716 4.297 20 0 JIADMP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C)n3CC(C)(C)[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC001315544582 1064547038 /nfs/dbraw/zinc/54/70/38/1064547038.db2.gz DVPRZYDKMCHLIJ-BDTNDASRSA-N 2 1 468.690 4.235 20 0 JIADMP COc1cccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001315563770 1064592222 /nfs/dbraw/zinc/59/22/22/1064592222.db2.gz SSOIOKPQSNNMGT-JOCHJYFZSA-N 2 1 466.630 4.160 20 0 JIADMP COc1cccc(-c2nnc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001315564665 1064595144 /nfs/dbraw/zinc/59/51/44/1064595144.db2.gz VCVSNTOOHQJETG-HSZRJFAPSA-N 2 1 498.716 4.152 20 0 JIADMP COc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001315630186 1064780030 /nfs/dbraw/zinc/78/00/30/1064780030.db2.gz XZIGAOHMHOLUNJ-QFIPXVFZSA-N 2 1 468.690 4.063 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001315642990 1064808324 /nfs/dbraw/zinc/80/83/24/1064808324.db2.gz KBPSACWUZBAZGK-FCHUYYIVSA-N 2 1 468.690 4.027 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001315642990 1064808327 /nfs/dbraw/zinc/80/83/27/1064808327.db2.gz KBPSACWUZBAZGK-FCHUYYIVSA-N 2 1 468.690 4.027 20 0 JIADMP COCCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001316027836 1065639124 /nfs/dbraw/zinc/63/91/24/1065639124.db2.gz PWCANHHTDWQDSW-UHFFFAOYSA-N 2 1 489.108 4.268 20 0 JIADMP COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001316029422 1065641967 /nfs/dbraw/zinc/64/19/67/1065641967.db2.gz XDBFQZHCMJKXNC-UHFFFAOYSA-N 2 1 495.499 4.285 20 0 JIADMP COCC[N@@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001316074955 1065712416 /nfs/dbraw/zinc/71/24/16/1065712416.db2.gz TUTNVYKUPCLUJP-UHFFFAOYSA-N 2 1 495.137 4.113 20 0 JIADMP COCC[NH+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001316074955 1065712429 /nfs/dbraw/zinc/71/24/29/1065712429.db2.gz TUTNVYKUPCLUJP-UHFFFAOYSA-N 2 1 495.137 4.113 20 0 JIADMP COCC[NH+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001316074955 1065712439 /nfs/dbraw/zinc/71/24/39/1065712439.db2.gz TUTNVYKUPCLUJP-UHFFFAOYSA-N 2 1 495.137 4.113 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+](C)C2CCCC2)C[C@H]1C ZINC001316125567 1065795820 /nfs/dbraw/zinc/79/58/20/1065795820.db2.gz QMWDAHBVQBLKFP-GOSISDBHSA-N 2 1 495.499 4.283 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+](C)C2CCCC2)C[C@H]1C ZINC001316125567 1065795830 /nfs/dbraw/zinc/79/58/30/1065795830.db2.gz QMWDAHBVQBLKFP-GOSISDBHSA-N 2 1 495.499 4.283 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001316125567 1065795842 /nfs/dbraw/zinc/79/58/42/1065795842.db2.gz QMWDAHBVQBLKFP-GOSISDBHSA-N 2 1 495.499 4.283 20 0 JIADMP CSC1(Cn2c(CC(C)C)nnc2N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH+](C)CC1 ZINC001316408361 1066192103 /nfs/dbraw/zinc/19/21/03/1066192103.db2.gz XOHMHGXBTIANCX-JOCHJYFZSA-N 2 1 470.731 4.015 20 0 JIADMP Cc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC(C)(C)[NH+]2CCCCC2)n1 ZINC001492512078 1066350053 /nfs/dbraw/zinc/35/00/53/1066350053.db2.gz VEZXJDWBVSXHNZ-UHFFFAOYSA-N 2 1 467.706 4.470 20 0 JIADMP Cc1cccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC[NH+](C)C2CCCCC2)c1 ZINC001492545371 1066733969 /nfs/dbraw/zinc/73/39/69/1066733969.db2.gz AKQUNSNNJJPFPD-UHFFFAOYSA-N 2 1 468.690 4.351 20 0 JIADMP Cc1cccc(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2CC[N@H+](C)C2CCCCC2)c1 ZINC001492545371 1066733983 /nfs/dbraw/zinc/73/39/83/1066733983.db2.gz AKQUNSNNJJPFPD-UHFFFAOYSA-N 2 1 468.690 4.351 20 0 JIADMP Cc1cccc(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2CC[N@@H+](C)C2CCCCC2)c1 ZINC001492545371 1066733993 /nfs/dbraw/zinc/73/39/93/1066733993.db2.gz AKQUNSNNJJPFPD-UHFFFAOYSA-N 2 1 468.690 4.351 20 0 JIADMP COc1c(Br)cc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1Br ZINC001322611759 1067306231 /nfs/dbraw/zinc/30/62/31/1067306231.db2.gz VMDMOYBKPVQXOM-UHFFFAOYSA-N 2 1 497.275 4.257 20 0 JIADMP COc1ccc(-c2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300070741 1067591335 /nfs/dbraw/zinc/59/13/35/1067591335.db2.gz LEOSUMISMIPTNN-XUZZJYLKSA-N 2 1 498.716 4.249 20 0 JIADMP C[C@@H](c1ccc(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1)[NH+]1CCOCC1 ZINC001200121682 1067682474 /nfs/dbraw/zinc/68/24/74/1067682474.db2.gz LMXGLUNYHLFNEY-QFIPXVFZSA-N 2 1 450.627 4.456 20 0 JIADMP C[C@@H](c1ccc(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1)[NH+]1CCOCC1 ZINC001200121682 1067682496 /nfs/dbraw/zinc/68/24/96/1067682496.db2.gz LMXGLUNYHLFNEY-QFIPXVFZSA-N 2 1 450.627 4.456 20 0 JIADMP COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001300375798 1068445380 /nfs/dbraw/zinc/44/53/80/1068445380.db2.gz OOZMAEYGSIJQAX-OAQYLSRUSA-N 2 1 468.690 4.431 20 0 JIADMP C[N@H+]1C[C@@H](C[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)[C@H](c2ccccc2)C1 ZINC001474595379 1068884539 /nfs/dbraw/zinc/88/45/39/1068884539.db2.gz JTGKJIVSNIWHEW-MEOUNUOGSA-N 2 1 456.030 4.081 20 0 JIADMP COc1ccccc1-c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCC[NH+](C(C)C)C(C)C ZINC001300513830 1068894920 /nfs/dbraw/zinc/89/49/20/1068894920.db2.gz RLEJLICUBGDYLN-QFIPXVFZSA-N 2 1 454.663 4.137 20 0 JIADMP Cc1ccccc1-c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001492569958 1069012359 /nfs/dbraw/zinc/01/23/59/1069012359.db2.gz MVBRCNXYFAIWJT-NXCFDTQHSA-N 2 1 495.760 4.225 20 0 JIADMP CC(C)Cn1cc([C@@H]2[N@H+](Cc3ccccc3N(C)C3CC[NH+](C)CC3)CC23CCOCC3)cn1 ZINC000849479964 1069048875 /nfs/dbraw/zinc/04/88/75/1069048875.db2.gz ZJSAQIOJKIORIK-MHZLTWQESA-N 2 1 465.686 4.423 20 0 JIADMP CC(C)Cn1cc([C@@H]2[N@@H+](Cc3ccccc3N(C)C3CC[NH+](C)CC3)CC23CCOCC3)cn1 ZINC000849479964 1069048899 /nfs/dbraw/zinc/04/88/99/1069048899.db2.gz ZJSAQIOJKIORIK-MHZLTWQESA-N 2 1 465.686 4.423 20 0 JIADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000849492997 1069061641 /nfs/dbraw/zinc/06/16/41/1069061641.db2.gz IGARZWUGSJJDDX-WUFINQPMSA-N 2 1 471.649 4.035 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849501149 1069073000 /nfs/dbraw/zinc/07/30/00/1069073000.db2.gz KZEOZYLXIMNLFK-ZKBLBJRCSA-N 2 1 465.686 4.028 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849501149 1069073003 /nfs/dbraw/zinc/07/30/03/1069073003.db2.gz KZEOZYLXIMNLFK-ZKBLBJRCSA-N 2 1 465.686 4.028 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849501149 1069073007 /nfs/dbraw/zinc/07/30/07/1069073007.db2.gz KZEOZYLXIMNLFK-ZKBLBJRCSA-N 2 1 465.686 4.028 20 0 JIADMP CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000849512893 1069097484 /nfs/dbraw/zinc/09/74/84/1069097484.db2.gz MQLFOSGSFIKCKW-DPLHUUCSSA-N 2 1 494.511 4.377 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300610307 1069213509 /nfs/dbraw/zinc/21/35/09/1069213509.db2.gz MTCXJNAPHKVKNX-PSWAGMNNSA-N 2 1 482.717 4.490 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300610307 1069213518 /nfs/dbraw/zinc/21/35/18/1069213518.db2.gz MTCXJNAPHKVKNX-PSWAGMNNSA-N 2 1 482.717 4.490 20 0 JIADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1nc(C[NH+](CC)CC)nc3sc(C)c(C)c31)C2 ZINC001164619335 719010624 /nfs/dbraw/zinc/01/06/24/719010624.db2.gz VSUXAWLOHBIMFO-CCLHPLFOSA-N 2 1 499.725 4.299 20 0 JIADMP CCOC(=O)C1CC[NH+](C2CCN(c3nc(C[NH+](CC)CC)nc4sc(C)c(C)c43)CC2)CC1 ZINC001164617167 719032161 /nfs/dbraw/zinc/03/21/61/719032161.db2.gz IQCDQRYYDCJQAE-UHFFFAOYSA-N 2 1 487.714 4.394 20 0 JIADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)Oc2ccc3nc(Cl)c(Cl)nc3c2)c2c1CC[NH2+]C2 ZINC001164683645 719620203 /nfs/dbraw/zinc/62/02/03/719620203.db2.gz UHJJOPMBDLUPSA-UHFFFAOYSA-N 2 1 471.339 4.205 20 0 JIADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)Oc2ccc3nc(Cl)c(Cl)nc3c2)c2c1CC[NH2+]C2 ZINC001164683645 719620213 /nfs/dbraw/zinc/62/02/13/719620213.db2.gz UHJJOPMBDLUPSA-UHFFFAOYSA-N 2 1 471.339 4.205 20 0 JIADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164719120 720123689 /nfs/dbraw/zinc/12/36/89/720123689.db2.gz WMQPDWNEWLKFOC-HSZRJFAPSA-N 2 1 470.061 4.233 20 0 JIADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164719120 720123696 /nfs/dbraw/zinc/12/36/96/720123696.db2.gz WMQPDWNEWLKFOC-HSZRJFAPSA-N 2 1 470.061 4.233 20 0 JIADMP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164817535 720168375 /nfs/dbraw/zinc/16/83/75/720168375.db2.gz PSTYKUPICKJPLQ-RLWLMLJZSA-N 2 1 469.699 4.089 20 0 JIADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164817535 720168383 /nfs/dbraw/zinc/16/83/83/720168383.db2.gz PSTYKUPICKJPLQ-RLWLMLJZSA-N 2 1 469.699 4.089 20 0 JIADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)CC[C@@H]21 ZINC001164835016 720555727 /nfs/dbraw/zinc/55/57/27/720555727.db2.gz GSGWPNUDICWYEK-RSEQLOHWSA-N 2 1 473.600 4.193 20 0 JIADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)CC[C@@H]21 ZINC001164835016 720555732 /nfs/dbraw/zinc/55/57/32/720555732.db2.gz GSGWPNUDICWYEK-RSEQLOHWSA-N 2 1 473.600 4.193 20 0 JIADMP COc1cc2c[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc2cc1OC ZINC001164752082 720918750 /nfs/dbraw/zinc/91/87/50/720918750.db2.gz NAPBWHROHOZRSC-VAVYLYDRSA-N 2 1 488.632 4.402 20 0 JIADMP COc1cc2c[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc2cc1OC ZINC001164752082 720918756 /nfs/dbraw/zinc/91/87/56/720918756.db2.gz NAPBWHROHOZRSC-VAVYLYDRSA-N 2 1 488.632 4.402 20 0 JIADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)c3ccc(OC)cc3[nH+]1)CC2 ZINC001164784821 721462635 /nfs/dbraw/zinc/46/26/35/721462635.db2.gz KKXCEEWNJKQXCF-QFIPXVFZSA-N 2 1 453.627 4.286 20 0 JIADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)c3ccc(OC)cc3[nH+]1)CC2 ZINC001164784821 721462636 /nfs/dbraw/zinc/46/26/36/721462636.db2.gz KKXCEEWNJKQXCF-QFIPXVFZSA-N 2 1 453.627 4.286 20 0 JIADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2[nH+]ccc3c2ccn3Cc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001164804653 721561948 /nfs/dbraw/zinc/56/19/48/721561948.db2.gz LENCKRHPJIFHHB-PFBJBMPXSA-N 2 1 453.590 4.348 20 0 JIADMP Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)CC[N@H+]3C2)c1 ZINC001164907219 721567788 /nfs/dbraw/zinc/56/77/88/721567788.db2.gz MTYGRCCPVGTKPT-PZJWPPBQSA-N 2 1 478.946 4.138 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(c3ccc(C)nn3)[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)c2c1C ZINC001164964595 722025429 /nfs/dbraw/zinc/02/54/29/722025429.db2.gz WYUDUTGZRQPALA-FNZWTVRRSA-N 2 1 493.681 4.052 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164974296 722141499 /nfs/dbraw/zinc/14/14/99/722141499.db2.gz DGJZSOHSWUAQGX-DHIUTWEWSA-N 2 1 492.693 4.026 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164974296 722141504 /nfs/dbraw/zinc/14/15/04/722141504.db2.gz DGJZSOHSWUAQGX-DHIUTWEWSA-N 2 1 492.693 4.026 20 0 JIADMP CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC001359685561 1070342238 /nfs/dbraw/zinc/34/22/38/1070342238.db2.gz XAHSBEOYAGJWFV-HPUZDQILSA-N 2 1 482.717 4.248 20 0 JIADMP CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC001359685561 1070342251 /nfs/dbraw/zinc/34/22/51/1070342251.db2.gz XAHSBEOYAGJWFV-HPUZDQILSA-N 2 1 482.717 4.248 20 0 JIADMP CC(C)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359685561 1070342271 /nfs/dbraw/zinc/34/22/71/1070342271.db2.gz XAHSBEOYAGJWFV-HPUZDQILSA-N 2 1 482.717 4.248 20 0 JIADMP CC(C)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001359685561 1070342289 /nfs/dbraw/zinc/34/22/89/1070342289.db2.gz XAHSBEOYAGJWFV-HPUZDQILSA-N 2 1 482.717 4.248 20 0 JIADMP COc1cccc([C@H](Cn2c(C(C)C)nnc2N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)[NH+](C)C)c1 ZINC001315544278 1064546431 /nfs/dbraw/zinc/54/64/31/1064546431.db2.gz CBUKSIUJRHCOCE-VRUMLPLGSA-N 2 1 498.716 4.039 20 0 JIADMP COc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001315564628 1064594542 /nfs/dbraw/zinc/59/45/42/1064594542.db2.gz WCFWOZFEENBYKX-QFIPXVFZSA-N 2 1 468.690 4.242 20 0 JIADMP COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001315606239 1064722185 /nfs/dbraw/zinc/72/21/85/1064722185.db2.gz BKRHNLNNFMSSBB-HSZRJFAPSA-N 2 1 468.690 4.244 20 0 JIADMP CSC1(Cn2c(-c3ccccc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC[NH+](C)CC1 ZINC001316404439 1066186177 /nfs/dbraw/zinc/18/61/77/1066186177.db2.gz LPHSHEBSTJBMRB-UHFFFAOYSA-N 2 1 456.704 4.083 20 0 JIADMP CSC1(Cn2c(CC(C)C)nnc2N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CC[NH+](C)CC1 ZINC001316407244 1066190605 /nfs/dbraw/zinc/19/06/05/1066190605.db2.gz LMVHQGRTNOZQTF-FQEVSTJZSA-N 2 1 476.760 4.249 20 0 JIADMP COc1cc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)ccc1OCc1ccc(F)cc1 ZINC001321654918 1067191906 /nfs/dbraw/zinc/19/19/06/1067191906.db2.gz VBZLNMVOEKBEHC-UHFFFAOYSA-N 2 1 463.597 4.451 20 0 JIADMP COc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC001300068461 1067586420 /nfs/dbraw/zinc/58/64/20/1067586420.db2.gz NHRLJMGSAJNIAR-SZPZYZBQSA-N 2 1 498.716 4.249 20 0 JIADMP COc1ccc(CCc2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300122752 1067742176 /nfs/dbraw/zinc/74/21/76/1067742176.db2.gz JBOMITITJCUYNJ-RUZDIDTESA-N 2 1 482.717 4.113 20 0 JIADMP COc1ccc(CCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H]2[NH+](C)CCCC2(C)C)cc1 ZINC001300122752 1067742181 /nfs/dbraw/zinc/74/21/81/1067742181.db2.gz JBOMITITJCUYNJ-RUZDIDTESA-N 2 1 482.717 4.113 20 0 JIADMP COc1ccc(CCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H]2[NH+](C)CCCC2(C)C)cc1 ZINC001300122752 1067742194 /nfs/dbraw/zinc/74/21/94/1067742194.db2.gz JBOMITITJCUYNJ-RUZDIDTESA-N 2 1 482.717 4.113 20 0 JIADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@]2(C)c2ccccc2)[C@H](C)C1 ZINC001353377342 1068071053 /nfs/dbraw/zinc/07/10/53/1068071053.db2.gz WANQXMSPTOESRR-AZUODYCOSA-N 2 1 477.693 4.330 20 0 JIADMP CCOCCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)[C@H](C)C1 ZINC001353377342 1068071065 /nfs/dbraw/zinc/07/10/65/1068071065.db2.gz WANQXMSPTOESRR-AZUODYCOSA-N 2 1 477.693 4.330 20 0 JIADMP CCOCCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)[C@H](C)C1 ZINC001353377342 1068071077 /nfs/dbraw/zinc/07/10/77/1068071077.db2.gz WANQXMSPTOESRR-AZUODYCOSA-N 2 1 477.693 4.330 20 0 JIADMP COc1cccc([C@H](Cn2c(C(C)C)nnc2N2CC[NH+](Cc3ccsc3)CC2)[NH+](C)C)c1 ZINC001300333514 1068291937 /nfs/dbraw/zinc/29/19/37/1068291937.db2.gz BLKONRYTZZJPEY-QHCPKHFHSA-N 2 1 468.671 4.097 20 0 JIADMP COc1cccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)[NH+](C)C)c1 ZINC001300342326 1068331481 /nfs/dbraw/zinc/33/14/81/1068331481.db2.gz WEIUPJOXSRTBDO-IZZNHLLZSA-N 2 1 498.716 4.388 20 0 JIADMP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)c1 ZINC001353667697 1068418007 /nfs/dbraw/zinc/41/80/07/1068418007.db2.gz OOCNPRZERIXJFQ-DNQXCXABSA-N 2 1 464.635 4.328 20 0 JIADMP C[N@H+](Cc1ccccc1NC(=S)NCC[NH+]1CCCCC1)C[C@H](O)c1ccc(Cl)cc1 ZINC001200434460 1068535364 /nfs/dbraw/zinc/53/53/64/1068535364.db2.gz VGICCGOWICEXNC-QHCPKHFHSA-N 2 1 461.075 4.278 20 0 JIADMP COc1ccccc1Cc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCC[NH+](C(C)C)C(C)C ZINC001300548690 1068993571 /nfs/dbraw/zinc/99/35/71/1068993571.db2.gz OBNFWLRODCYOQM-VWNXMTODSA-N 2 1 468.690 4.059 20 0 JIADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)CC1 ZINC000849478729 1069047731 /nfs/dbraw/zinc/04/77/31/1069047731.db2.gz JUIFJEOBYSLDTF-HHHXNRCGSA-N 2 1 465.686 4.425 20 0 JIADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)CC1 ZINC000849478729 1069047738 /nfs/dbraw/zinc/04/77/38/1069047738.db2.gz JUIFJEOBYSLDTF-HHHXNRCGSA-N 2 1 465.686 4.425 20 0 JIADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccccc1Cl ZINC000849483160 1069051143 /nfs/dbraw/zinc/05/11/43/1069051143.db2.gz FXHVVGWMEZHJJO-KIFXHHALSA-N 2 1 460.066 4.087 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849503027 1069076800 /nfs/dbraw/zinc/07/68/00/1069076800.db2.gz UYYOHHCEROVECZ-JRAXSAEOSA-N 2 1 465.686 4.028 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849503027 1069076806 /nfs/dbraw/zinc/07/68/06/1069076806.db2.gz UYYOHHCEROVECZ-JRAXSAEOSA-N 2 1 465.686 4.028 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849503027 1069076812 /nfs/dbraw/zinc/07/68/12/1069076812.db2.gz UYYOHHCEROVECZ-JRAXSAEOSA-N 2 1 465.686 4.028 20 0 JIADMP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849510100 1069091780 /nfs/dbraw/zinc/09/17/80/1069091780.db2.gz GZABYPRXTGUQGY-SFTDATJTSA-N 2 1 480.484 4.133 20 0 JIADMP CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)[NH2+][C@H](C)c1ccccc1 ZINC000849613971 1069275480 /nfs/dbraw/zinc/27/54/80/1069275480.db2.gz WKJXZLPDFPKYRF-MYCYEZBNSA-N 2 1 453.675 4.116 20 0 JIADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3c1ccn3C1CCCC1)CC2 ZINC001164718587 720121381 /nfs/dbraw/zinc/12/13/81/720121381.db2.gz SWYOFXSADMIVGB-QHCPKHFHSA-N 2 1 460.626 4.449 20 0 JIADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3c1ccn3C1CCCC1)CC2 ZINC001164718587 720121390 /nfs/dbraw/zinc/12/13/90/720121390.db2.gz SWYOFXSADMIVGB-QHCPKHFHSA-N 2 1 460.626 4.449 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827493 720339414 /nfs/dbraw/zinc/33/94/14/720339414.db2.gz MHIOTEOHDLYQNA-YADHBBJMSA-N 2 1 498.741 4.061 20 0 JIADMP CC(C)[N@H+]1[C@@H]2CCN(c3[nH+]cnc4c3ccn4Cc3ccccc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837332 720556643 /nfs/dbraw/zinc/55/66/43/720556643.db2.gz LTBFDOASEUTVAV-SONWIMMPSA-N 2 1 455.610 4.054 20 0 JIADMP CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+]cnc4c3ccn4Cc3ccccc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837332 720556648 /nfs/dbraw/zinc/55/66/48/720556648.db2.gz LTBFDOASEUTVAV-SONWIMMPSA-N 2 1 455.610 4.054 20 0 JIADMP COc1cc2c[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc2cc1OC ZINC001164752076 720917878 /nfs/dbraw/zinc/91/78/78/720917878.db2.gz NAPBWHROHOZRSC-SVEHJYQDSA-N 2 1 488.632 4.402 20 0 JIADMP COc1cc2c[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc2cc1OC ZINC001164752076 720917892 /nfs/dbraw/zinc/91/78/92/720917892.db2.gz NAPBWHROHOZRSC-SVEHJYQDSA-N 2 1 488.632 4.402 20 0 JIADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)[C@@H]2C ZINC001164859536 721023708 /nfs/dbraw/zinc/02/37/08/721023708.db2.gz JCZYFRZBBUHHME-MRXNPFEDSA-N 2 1 464.992 4.275 20 0 JIADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)[C@H]2C ZINC001164859533 721024193 /nfs/dbraw/zinc/02/41/93/721024193.db2.gz JCZYFRZBBUHHME-INIZCTEOSA-N 2 1 464.992 4.275 20 0 JIADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cnc3c1ccn3C1CCCC1)CC2 ZINC001164789935 721461059 /nfs/dbraw/zinc/46/10/59/721461059.db2.gz YPGUHFOEDDXQLE-HSZRJFAPSA-N 2 1 467.658 4.280 20 0 JIADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cnc3c1ccn3C1CCCC1)CC2 ZINC001164789935 721461060 /nfs/dbraw/zinc/46/10/60/721461060.db2.gz YPGUHFOEDDXQLE-HSZRJFAPSA-N 2 1 467.658 4.280 20 0 JIADMP O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[NH+](C4CCCC4)CC3)c21 ZINC001165032635 721858922 /nfs/dbraw/zinc/85/89/22/721858922.db2.gz VMKPPQOWYAPZAM-UHFFFAOYSA-N 2 1 481.040 4.461 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(c3ccc(C)nn3)[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)c2c1C ZINC001164964616 722025409 /nfs/dbraw/zinc/02/54/09/722025409.db2.gz WYUDUTGZRQPALA-RXFWQSSRSA-N 2 1 493.681 4.052 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(c2ccc(C)nn2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001164962681 722025475 /nfs/dbraw/zinc/02/54/75/722025475.db2.gz QUMTUFSMEUSQCW-FQRUVTKNSA-N 2 1 495.697 4.298 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@@H]43)c2c1C ZINC001164958049 722051175 /nfs/dbraw/zinc/05/11/75/722051175.db2.gz BCVRDDBIXMCMMF-REHUZNOOSA-N 2 1 478.666 4.204 20 0 JIADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc1 ZINC001164964760 722056972 /nfs/dbraw/zinc/05/69/72/722056972.db2.gz XPBNEMPDHFGOOV-UHFFFAOYSA-N 2 1 486.595 4.133 20 0 JIADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC001164964760 722056973 /nfs/dbraw/zinc/05/69/73/722056973.db2.gz XPBNEMPDHFGOOV-UHFFFAOYSA-N 2 1 486.595 4.133 20 0 JIADMP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164972435 722124883 /nfs/dbraw/zinc/12/48/83/722124883.db2.gz FICVZTZSRNGOCP-IGKIAQTJSA-N 2 1 453.590 4.207 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164978938 722141386 /nfs/dbraw/zinc/14/13/86/722141386.db2.gz LCLCFRBCERBWMZ-DHIUTWEWSA-N 2 1 494.709 4.272 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164978938 722141387 /nfs/dbraw/zinc/14/13/87/722141387.db2.gz LCLCFRBCERBWMZ-DHIUTWEWSA-N 2 1 494.709 4.272 20 0 JIADMP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(C)n3CC(C)(C)[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC001315544583 1064547314 /nfs/dbraw/zinc/54/73/14/1064547314.db2.gz DVPRZYDKMCHLIJ-BHIFYINESA-N 2 1 468.690 4.235 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001315642992 1064808437 /nfs/dbraw/zinc/80/84/37/1064808437.db2.gz KBPSACWUZBAZGK-FGZHOGPDSA-N 2 1 468.690 4.027 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001315642992 1064808441 /nfs/dbraw/zinc/80/84/41/1064808441.db2.gz KBPSACWUZBAZGK-FGZHOGPDSA-N 2 1 468.690 4.027 20 0 JIADMP Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001492515966 1066363403 /nfs/dbraw/zinc/36/34/03/1066363403.db2.gz JNRMWFGCBNEEOO-RLWLMLJZSA-N 2 1 453.679 4.080 20 0 JIADMP Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(CC[NH+]4CCSCC4)cc3)CC2)cc1 ZINC001318097490 1066897852 /nfs/dbraw/zinc/89/78/52/1066897852.db2.gz SZHSTOOASCVFHP-UHFFFAOYSA-N 2 1 452.668 4.326 20 0 JIADMP Cc1ccccc1Cc1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCC[NH+](C(C)C)C(C)C ZINC001492580321 1067324324 /nfs/dbraw/zinc/32/43/24/1067324324.db2.gz ARXOXEKVHDNOHE-UKILVPOCSA-N 2 1 452.691 4.359 20 0 JIADMP Cc1cccc(-c2nnc(N(C)C3CC[NH+](Cc4ccccc4)CC3)n2CC[N@H+](C)C(C)C)n1 ZINC001492497317 1067337101 /nfs/dbraw/zinc/33/71/01/1067337101.db2.gz SNTGVUGOBCLHOX-UHFFFAOYSA-N 2 1 461.658 4.090 20 0 JIADMP COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC001300786584 1067349428 /nfs/dbraw/zinc/34/94/28/1067349428.db2.gz RFFGWIXGQGVHCX-UHFFFAOYSA-N 2 1 488.746 4.140 20 0 JIADMP Cc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001492582214 1067522435 /nfs/dbraw/zinc/52/24/35/1067522435.db2.gz AFHOWXVKYNKVSS-HSZRJFAPSA-N 2 1 452.691 4.265 20 0 JIADMP COc1ccc(-c2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2CC[N@@H+](C)C(C)C)c(OC)c1 ZINC001300071665 1067593913 /nfs/dbraw/zinc/59/39/13/1067593913.db2.gz VUASYJCAVULVLB-UHFFFAOYSA-N 2 1 484.689 4.003 20 0 JIADMP C[C@@H]1C[C@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001356500728 1067765276 /nfs/dbraw/zinc/76/52/76/1067765276.db2.gz FKQJOJCZOLDALY-VWNXMTODSA-N 2 1 459.638 4.142 20 0 JIADMP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(C4CCC4)n3CCC[N@H+](C)C(C)C)CC2)c1 ZINC001300334671 1068302615 /nfs/dbraw/zinc/30/26/15/1068302615.db2.gz IRFNWAHUFIBCIC-OAQYLSRUSA-N 2 1 454.663 4.168 20 0 JIADMP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(C4CCC4)n3CCC[N@@H+](C)C(C)C)CC2)c1 ZINC001300334671 1068302633 /nfs/dbraw/zinc/30/26/33/1068302633.db2.gz IRFNWAHUFIBCIC-OAQYLSRUSA-N 2 1 454.663 4.168 20 0 JIADMP COc1cccc([C@@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)[NH+](C)C)c1 ZINC001300342324 1068331731 /nfs/dbraw/zinc/33/17/31/1068331731.db2.gz WEIUPJOXSRTBDO-CLJLJLNGSA-N 2 1 498.716 4.388 20 0 JIADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)CC1 ZINC000849478730 1069047815 /nfs/dbraw/zinc/04/78/15/1069047815.db2.gz JUIFJEOBYSLDTF-MHZLTWQESA-N 2 1 465.686 4.425 20 0 JIADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)CC1 ZINC000849478730 1069047836 /nfs/dbraw/zinc/04/78/36/1069047836.db2.gz JUIFJEOBYSLDTF-MHZLTWQESA-N 2 1 465.686 4.425 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849501142 1069073092 /nfs/dbraw/zinc/07/30/92/1069073092.db2.gz KZEOZYLXIMNLFK-HXABMTEBSA-N 2 1 465.686 4.028 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849501142 1069073096 /nfs/dbraw/zinc/07/30/96/1069073096.db2.gz KZEOZYLXIMNLFK-HXABMTEBSA-N 2 1 465.686 4.028 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849501142 1069073101 /nfs/dbraw/zinc/07/31/01/1069073101.db2.gz KZEOZYLXIMNLFK-HXABMTEBSA-N 2 1 465.686 4.028 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)N(CC[NH+](C)Cc2ccccc2)Cc2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849559663 1069209225 /nfs/dbraw/zinc/20/92/25/1069209225.db2.gz VRRNFQOSAMWCDP-WDYNHAJCSA-N 2 1 487.692 4.395 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849559663 1069209241 /nfs/dbraw/zinc/20/92/41/1069209241.db2.gz VRRNFQOSAMWCDP-WDYNHAJCSA-N 2 1 487.692 4.395 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)N(CC[N@@H+](C)Cc2ccccc2)Cc2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849559663 1069209269 /nfs/dbraw/zinc/20/92/69/1069209269.db2.gz VRRNFQOSAMWCDP-WDYNHAJCSA-N 2 1 487.692 4.395 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849598853 1069256076 /nfs/dbraw/zinc/25/60/76/1069256076.db2.gz HSDKKWMRJAKRDV-IARZGTGTSA-N 2 1 491.724 4.383 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849598854 1069256198 /nfs/dbraw/zinc/25/61/98/1069256198.db2.gz HSDKKWMRJAKRDV-KCHLEUMXSA-N 2 1 491.724 4.383 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849606011 1069262387 /nfs/dbraw/zinc/26/23/87/1069262387.db2.gz LGILVDSJRPZLFP-BJKOFHAPSA-N 2 1 455.672 4.061 20 0 JIADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)n2)CC1 ZINC001164405016 718864250 /nfs/dbraw/zinc/86/42/50/718864250.db2.gz CEAJDZWNVOZKII-UYAOXDASSA-N 2 1 483.707 4.466 20 0 JIADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@@H](CF)[C@H](C5([NH3+])CC5)C4)c32)C1 ZINC001164625952 719122272 /nfs/dbraw/zinc/12/22/72/719122272.db2.gz ZSDBXKCCCMKPLH-ZHALLVOQSA-N 2 1 457.663 4.315 20 0 JIADMP Fc1cccc(N(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164650536 719296835 /nfs/dbraw/zinc/29/68/35/719296835.db2.gz IPHPOYHGCOJBTE-RBJSKKJNSA-N 2 1 473.596 4.223 20 0 JIADMP Fc1cccc(N(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164650536 719296838 /nfs/dbraw/zinc/29/68/38/719296838.db2.gz IPHPOYHGCOJBTE-RBJSKKJNSA-N 2 1 473.596 4.223 20 0 JIADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)n2)CC1 ZINC001164666455 719443157 /nfs/dbraw/zinc/44/31/57/719443157.db2.gz CMAYNKQELQGTJI-RTBURBONSA-N 2 1 469.680 4.171 20 0 JIADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)n2)CC1 ZINC001164666455 719443162 /nfs/dbraw/zinc/44/31/62/719443162.db2.gz CMAYNKQELQGTJI-RTBURBONSA-N 2 1 469.680 4.171 20 0 JIADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)n2)CC1 ZINC001164666454 719444384 /nfs/dbraw/zinc/44/43/84/719444384.db2.gz CMAYNKQELQGTJI-RBUKOAKNSA-N 2 1 469.680 4.171 20 0 JIADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)n2)CC1 ZINC001164666454 719444386 /nfs/dbraw/zinc/44/43/86/719444386.db2.gz CMAYNKQELQGTJI-RBUKOAKNSA-N 2 1 469.680 4.171 20 0 JIADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3c2ccn3COCC[Si](C)(C)C)c2c1CC[NH2+]C2 ZINC001164681126 719630297 /nfs/dbraw/zinc/63/02/97/719630297.db2.gz BFOBOQXDMWJXOZ-UHFFFAOYSA-N 2 1 490.128 4.069 20 0 JIADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3c2ccn3COCC[Si](C)(C)C)c2c1CC[NH2+]C2 ZINC001164681126 719630306 /nfs/dbraw/zinc/63/03/06/719630306.db2.gz BFOBOQXDMWJXOZ-UHFFFAOYSA-N 2 1 490.128 4.069 20 0 JIADMP CC(C)n1ccc2c1nc[nH+]c2N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680364 719676812 /nfs/dbraw/zinc/67/68/12/719676812.db2.gz DCECLHAINNDIOW-NRFANRHFSA-N 2 1 474.653 4.106 20 0 JIADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835778 720526233 /nfs/dbraw/zinc/52/62/33/720526233.db2.gz LGZUMXHOTGQIIO-UNCTUWKVSA-N 2 1 470.665 4.214 20 0 JIADMP CC(C)[NH+]1[C@@H]2CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835778 720526237 /nfs/dbraw/zinc/52/62/37/720526237.db2.gz LGZUMXHOTGQIIO-UNCTUWKVSA-N 2 1 470.665 4.214 20 0 JIADMP CC(C)[NH+]1[C@@H]2CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835778 720526241 /nfs/dbraw/zinc/52/62/41/720526241.db2.gz LGZUMXHOTGQIIO-UNCTUWKVSA-N 2 1 470.665 4.214 20 0 JIADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757482 720894453 /nfs/dbraw/zinc/89/44/53/720894453.db2.gz VDASGNZTEFDHRS-NAKRPHOHSA-N 2 1 496.099 4.481 20 0 JIADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757482 720894454 /nfs/dbraw/zinc/89/44/54/720894454.db2.gz VDASGNZTEFDHRS-NAKRPHOHSA-N 2 1 496.099 4.481 20 0 JIADMP COc1cc2c[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc2cc1OC ZINC001164752073 720919500 /nfs/dbraw/zinc/91/95/00/720919500.db2.gz NAPBWHROHOZRSC-IRPSRAIASA-N 2 1 488.632 4.402 20 0 JIADMP COc1cc2c[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc2cc1OC ZINC001164752073 720919516 /nfs/dbraw/zinc/91/95/16/720919516.db2.gz NAPBWHROHOZRSC-IRPSRAIASA-N 2 1 488.632 4.402 20 0 JIADMP COc1cc2c[nH+]c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)cc2cc1OC ZINC001164913850 721727362 /nfs/dbraw/zinc/72/73/62/721727362.db2.gz YYDVNOUBDPTILY-DEOSSOPVSA-N 2 1 454.521 4.385 20 0 JIADMP COc1cc2c[nH+]c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)cc2cc1OC ZINC001164913850 721727364 /nfs/dbraw/zinc/72/73/64/721727364.db2.gz YYDVNOUBDPTILY-DEOSSOPVSA-N 2 1 454.521 4.385 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164978941 722141459 /nfs/dbraw/zinc/14/14/59/722141459.db2.gz LCLCFRBCERBWMZ-XZOQPEGZSA-N 2 1 494.709 4.272 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164978941 722141462 /nfs/dbraw/zinc/14/14/62/722141462.db2.gz LCLCFRBCERBWMZ-XZOQPEGZSA-N 2 1 494.709 4.272 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164978939 722141683 /nfs/dbraw/zinc/14/16/83/722141683.db2.gz LCLCFRBCERBWMZ-GOTSBHOMSA-N 2 1 494.709 4.272 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164978939 722141684 /nfs/dbraw/zinc/14/16/84/722141684.db2.gz LCLCFRBCERBWMZ-GOTSBHOMSA-N 2 1 494.709 4.272 20 0 JIADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(c2nc3c(cc2C(=O)NCC2CC2)CC[NH2+]CC3)C(C)C)nc1 ZINC001164998276 722220484 /nfs/dbraw/zinc/22/04/84/722220484.db2.gz IADBXTHEJCWWBM-SANMLTNESA-N 2 1 490.696 4.398 20 0 JIADMP CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCCCO3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001359548237 1069854871 /nfs/dbraw/zinc/85/48/71/1069854871.db2.gz SQYDSNBUFBLWHF-HSZRJFAPSA-N 2 1 460.711 4.487 20 0 JIADMP CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001359549581 1069857498 /nfs/dbraw/zinc/85/74/98/1069857498.db2.gz ULUXXFSQLSKCAM-UHFFFAOYSA-N 2 1 463.457 4.434 20 0 JIADMP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(CC(C)C)n3CC[N@@H+]3CCCC(C)(C)C3)CC2)c1 ZINC001315545096 1064548561 /nfs/dbraw/zinc/54/85/61/1064548561.db2.gz KZYJWKYXXPHZFP-HSZRJFAPSA-N 2 1 482.717 4.490 20 0 JIADMP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(CC(C)C)n3CC[N@H+]3CCCC(C)(C)C3)CC2)c1 ZINC001315545096 1064548575 /nfs/dbraw/zinc/54/85/75/1064548575.db2.gz KZYJWKYXXPHZFP-HSZRJFAPSA-N 2 1 482.717 4.490 20 0 JIADMP COc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001315629908 1064779289 /nfs/dbraw/zinc/77/92/89/1064779289.db2.gz QSIZEAPMXXGIND-JOCHJYFZSA-N 2 1 482.717 4.309 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001315642464 1064807096 /nfs/dbraw/zinc/80/70/96/1064807096.db2.gz DQVOYXLYRZZLAU-QFIPXVFZSA-N 2 1 468.671 4.097 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001316125359 1065795892 /nfs/dbraw/zinc/79/58/92/1065795892.db2.gz NMQKOECDNJLFDO-RTBURBONSA-N 2 1 495.499 4.141 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001316125359 1065795902 /nfs/dbraw/zinc/79/59/02/1065795902.db2.gz NMQKOECDNJLFDO-RTBURBONSA-N 2 1 495.499 4.141 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001316125359 1065795917 /nfs/dbraw/zinc/79/59/17/1065795917.db2.gz NMQKOECDNJLFDO-RTBURBONSA-N 2 1 495.499 4.141 20 0 JIADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(C)(C)C)n2C[C@H](c2cccs2)[NH+]2CCCC2)C[C@H](C)O1 ZINC001316504503 1066474265 /nfs/dbraw/zinc/47/42/65/1066474265.db2.gz MMKUUCUFFDSCAT-QHAWAJNXSA-N 2 1 474.719 4.020 20 0 JIADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(C(C)(C)C)n2C[C@H](c2cccs2)[NH+]2CCCC2)C[C@H](C)O1 ZINC001316504503 1066474285 /nfs/dbraw/zinc/47/42/85/1066474285.db2.gz MMKUUCUFFDSCAT-QHAWAJNXSA-N 2 1 474.719 4.020 20 0 JIADMP COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300043543 1067482993 /nfs/dbraw/zinc/48/29/93/1067482993.db2.gz GSFMUENTPOCPRS-DEOSSOPVSA-N 2 1 484.689 4.050 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC001300061586 1067565429 /nfs/dbraw/zinc/56/54/29/1067565429.db2.gz KGQUCICQYWSPHH-QFIPXVFZSA-N 2 1 498.716 4.393 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H]2CCC[NH+](C(C)C)C2)c(OC)c1 ZINC001300061586 1067565440 /nfs/dbraw/zinc/56/54/40/1067565440.db2.gz KGQUCICQYWSPHH-QFIPXVFZSA-N 2 1 498.716 4.393 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H]2CCC[NH+](C(C)C)C2)c(OC)c1 ZINC001300061586 1067565454 /nfs/dbraw/zinc/56/54/54/1067565454.db2.gz KGQUCICQYWSPHH-QFIPXVFZSA-N 2 1 498.716 4.393 20 0 JIADMP C[C@@H](c1ccc(NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC001200123103 1067687267 /nfs/dbraw/zinc/68/72/67/1067687267.db2.gz XWDYHHRXIDAEAV-IMIIHFCZSA-N 2 1 450.627 4.358 20 0 JIADMP C[C@@H](c1ccc(NC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC001200123103 1067687275 /nfs/dbraw/zinc/68/72/75/1067687275.db2.gz XWDYHHRXIDAEAV-IMIIHFCZSA-N 2 1 450.627 4.358 20 0 JIADMP Cc1ccccc1-c1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492560284 1067947931 /nfs/dbraw/zinc/94/79/31/1067947931.db2.gz UEGXKERJWCXHGZ-ZRZAMGCNSA-N 2 1 482.717 4.169 20 0 JIADMP Cc1ccccc1-c1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492560284 1067947956 /nfs/dbraw/zinc/94/79/56/1067947956.db2.gz UEGXKERJWCXHGZ-ZRZAMGCNSA-N 2 1 482.717 4.169 20 0 JIADMP Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001492560284 1067947975 /nfs/dbraw/zinc/94/79/75/1067947975.db2.gz UEGXKERJWCXHGZ-ZRZAMGCNSA-N 2 1 482.717 4.169 20 0 JIADMP Cc1ccccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001492560284 1067948012 /nfs/dbraw/zinc/94/80/12/1067948012.db2.gz UEGXKERJWCXHGZ-ZRZAMGCNSA-N 2 1 482.717 4.169 20 0 JIADMP COc1cccc([C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)[NH+](C)C)c1 ZINC001300339755 1068320237 /nfs/dbraw/zinc/32/02/37/1068320237.db2.gz IVBVJFIVOJJXHV-RUZDIDTESA-N 2 1 491.684 4.271 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849503026 1069075925 /nfs/dbraw/zinc/07/59/25/1069075925.db2.gz UYYOHHCEROVECZ-IMIIGWPFSA-N 2 1 465.686 4.028 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849503026 1069075929 /nfs/dbraw/zinc/07/59/29/1069075929.db2.gz UYYOHHCEROVECZ-IMIIGWPFSA-N 2 1 465.686 4.028 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849503026 1069075933 /nfs/dbraw/zinc/07/59/33/1069075933.db2.gz UYYOHHCEROVECZ-IMIIGWPFSA-N 2 1 465.686 4.028 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001300614426 1069224863 /nfs/dbraw/zinc/22/48/63/1069224863.db2.gz ASSFWFFXDGSIQW-UHFFFAOYSA-N 2 1 470.706 4.316 20 0 JIADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000849600416 1069256334 /nfs/dbraw/zinc/25/63/34/1069256334.db2.gz HGMSTTOWNVSSQN-UPRLRBBYSA-N 2 1 477.697 4.139 20 0 JIADMP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849611149 1069270835 /nfs/dbraw/zinc/27/08/35/1069270835.db2.gz UGKMSTYXRXDNEK-RPBOFIJWSA-N 2 1 474.093 4.258 20 0 JIADMP CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)[NH2+][C@H](C)c1ccccc1 ZINC000849613968 1069275365 /nfs/dbraw/zinc/27/53/65/1069275365.db2.gz WKJXZLPDFPKYRF-JLZPKONASA-N 2 1 453.675 4.116 20 0 JIADMP c1csc(-c2csc3nc(C[NH+]4CCCCC4)nc(N4CCO[C@@H]5C[NH2+]CC[C@@H]5C4)c23)c1 ZINC001164406524 718864353 /nfs/dbraw/zinc/86/43/53/718864353.db2.gz HFKDDSVDMJRHNM-IEBWSBKVSA-N 2 1 469.680 4.220 20 0 JIADMP Fc1cccc(N(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164650534 719296503 /nfs/dbraw/zinc/29/65/03/719296503.db2.gz IPHPOYHGCOJBTE-CUBQBAPOSA-N 2 1 473.596 4.223 20 0 JIADMP Fc1cccc(N(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164650534 719296506 /nfs/dbraw/zinc/29/65/06/719296506.db2.gz IPHPOYHGCOJBTE-CUBQBAPOSA-N 2 1 473.596 4.223 20 0 JIADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)c2c1CC[NH2+]C2 ZINC001164682263 719626139 /nfs/dbraw/zinc/62/61/39/719626139.db2.gz MDMVECXIZHEDGZ-UHFFFAOYSA-N 2 1 455.340 4.217 20 0 JIADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)c2c1CC[NH2+]C2 ZINC001164682263 719626151 /nfs/dbraw/zinc/62/61/51/719626151.db2.gz MDMVECXIZHEDGZ-UHFFFAOYSA-N 2 1 455.340 4.217 20 0 JIADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3cc(OC)c(OC)cc3c[nH+]1)CC2 ZINC001164710547 720146261 /nfs/dbraw/zinc/14/62/61/720146261.db2.gz CFHMXOBRPSVPDA-HSZRJFAPSA-N 2 1 462.594 4.155 20 0 JIADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)CC[C@@H]21 ZINC001164838017 720552884 /nfs/dbraw/zinc/55/28/84/720552884.db2.gz NIRHQFJNLTZQKP-RSEQLOHWSA-N 2 1 473.600 4.193 20 0 JIADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)CC[C@@H]21 ZINC001164838017 720552891 /nfs/dbraw/zinc/55/28/91/720552891.db2.gz NIRHQFJNLTZQKP-RSEQLOHWSA-N 2 1 473.600 4.193 20 0 JIADMP CC(C)[N@H+]1[C@@H]2CCN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835017 720556546 /nfs/dbraw/zinc/55/65/46/720556546.db2.gz GSGWPNUDICWYEK-UMXIMWEHSA-N 2 1 473.600 4.193 20 0 JIADMP CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835017 720556550 /nfs/dbraw/zinc/55/65/50/720556550.db2.gz GSGWPNUDICWYEK-UMXIMWEHSA-N 2 1 473.600 4.193 20 0 JIADMP COc1ccc2c(cc[nH+]c2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164752969 720879177 /nfs/dbraw/zinc/87/91/77/720879177.db2.gz OADBZNDJSBWVFB-RBJSKKJNSA-N 2 1 458.606 4.394 20 0 JIADMP COc1ccc2c(cc[nH+]c2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164752969 720879181 /nfs/dbraw/zinc/87/91/81/720879181.db2.gz OADBZNDJSBWVFB-RBJSKKJNSA-N 2 1 458.606 4.394 20 0 JIADMP COc1cc2cc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cc1OC ZINC001164754570 720893018 /nfs/dbraw/zinc/89/30/18/720893018.db2.gz JLUWEBPWLYDZRB-GIGWZHCTSA-N 2 1 488.632 4.402 20 0 JIADMP COc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]c2ccccc21 ZINC001164751762 720899347 /nfs/dbraw/zinc/89/93/47/720899347.db2.gz DLHYRYSGXVHRCF-LXFBAYGMSA-N 2 1 458.606 4.394 20 0 JIADMP COc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]c2ccccc21 ZINC001164751762 720899348 /nfs/dbraw/zinc/89/93/48/720899348.db2.gz DLHYRYSGXVHRCF-LXFBAYGMSA-N 2 1 458.606 4.394 20 0 JIADMP COc1cc2c[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc2cc1OC ZINC001164752071 720918258 /nfs/dbraw/zinc/91/82/58/720918258.db2.gz NAPBWHROHOZRSC-ABYGYWHVSA-N 2 1 488.632 4.402 20 0 JIADMP COc1cc2c[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc2cc1OC ZINC001164752071 720918264 /nfs/dbraw/zinc/91/82/64/720918264.db2.gz NAPBWHROHOZRSC-ABYGYWHVSA-N 2 1 488.632 4.402 20 0 JIADMP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164972436 722125087 /nfs/dbraw/zinc/12/50/87/722125087.db2.gz FICVZTZSRNGOCP-RPLLCQBOSA-N 2 1 453.590 4.207 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300651693 1069336244 /nfs/dbraw/zinc/33/62/44/1069336244.db2.gz BVDZNVKNAHGCRI-FIPFOOKPSA-N 2 1 498.716 4.297 20 0 JIADMP CC(C)(C)CC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC001359545918 1069849141 /nfs/dbraw/zinc/84/91/41/1069849141.db2.gz KVVKJMQGPKSUFE-VWLOTQADSA-N 2 1 496.744 4.139 20 0 JIADMP COc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001315564627 1064594609 /nfs/dbraw/zinc/59/46/09/1064594609.db2.gz WCFWOZFEENBYKX-JOCHJYFZSA-N 2 1 468.690 4.242 20 0 JIADMP COc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001315630185 1064779864 /nfs/dbraw/zinc/77/98/64/1064779864.db2.gz XZIGAOHMHOLUNJ-JOCHJYFZSA-N 2 1 468.690 4.063 20 0 JIADMP COc1ccccc1SCc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@@H+](C)C(C)C ZINC001315666067 1064881144 /nfs/dbraw/zinc/88/11/44/1064881144.db2.gz VINYUJZOICYIBB-UHFFFAOYSA-N 2 1 474.719 4.230 20 0 JIADMP COc1ccccc1SCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[NH+](C)C(C)C ZINC001315666067 1064881148 /nfs/dbraw/zinc/88/11/48/1064881148.db2.gz VINYUJZOICYIBB-UHFFFAOYSA-N 2 1 474.719 4.230 20 0 JIADMP COc1ccccc1SCc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[NH+](C)C(C)C ZINC001315666067 1064881154 /nfs/dbraw/zinc/88/11/54/1064881154.db2.gz VINYUJZOICYIBB-UHFFFAOYSA-N 2 1 474.719 4.230 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001316129096 1065801017 /nfs/dbraw/zinc/80/10/17/1065801017.db2.gz LUVZRHJGSZGVPS-FQEVSTJZSA-N 2 1 475.081 4.020 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001316129096 1065801021 /nfs/dbraw/zinc/80/10/21/1065801021.db2.gz LUVZRHJGSZGVPS-FQEVSTJZSA-N 2 1 475.081 4.020 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001316129096 1065801025 /nfs/dbraw/zinc/80/10/25/1065801025.db2.gz LUVZRHJGSZGVPS-FQEVSTJZSA-N 2 1 475.081 4.020 20 0 JIADMP Cc1cccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001492546477 1066826624 /nfs/dbraw/zinc/82/66/24/1066826624.db2.gz WOISAAVCHOHTOE-VWLOTQADSA-N 2 1 468.690 4.206 20 0 JIADMP Cc1cccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001492546528 1066828345 /nfs/dbraw/zinc/82/83/45/1066828345.db2.gz XROOQGAJDCMNBT-HSZRJFAPSA-N 2 1 482.698 4.450 20 0 JIADMP CCCOc1c(Br)cc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1OC ZINC001318419056 1067041219 /nfs/dbraw/zinc/04/12/19/1067041219.db2.gz QQTICOWFPFTTPZ-UHFFFAOYSA-N 2 1 476.459 4.284 20 0 JIADMP COc1ccncc1Cn1c(CCCc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001300695079 1067050948 /nfs/dbraw/zinc/05/09/48/1067050948.db2.gz KHZHUHRAXWTUPI-UHFFFAOYSA-N 2 1 462.642 4.216 20 0 JIADMP CC(C)c1ccc([C@H](CNC(=O)COC2CC[NH+](C)CC2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001355413354 1067456742 /nfs/dbraw/zinc/45/67/42/1067456742.db2.gz RZUQVGOUAXXSFC-DEOSSOPVSA-N 2 1 455.668 4.198 20 0 JIADMP CC(C)c1ccc([C@H](CNC(=O)COC2CC[NH+](C)CC2)[N@H+]2CCc3sccc3C2)cc1 ZINC001355413354 1067456764 /nfs/dbraw/zinc/45/67/64/1067456764.db2.gz RZUQVGOUAXXSFC-DEOSSOPVSA-N 2 1 455.668 4.198 20 0 JIADMP COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC001300043659 1067483076 /nfs/dbraw/zinc/48/30/76/1067483076.db2.gz HUYGLCBSFSFOHU-OAQYLSRUSA-N 2 1 454.663 4.185 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2CC[N@@H+](C)C(C)C)cc1OC ZINC001300053331 1067526889 /nfs/dbraw/zinc/52/68/89/1067526889.db2.gz IGSKJJJFLKMNLG-HSZRJFAPSA-N 2 1 498.716 4.251 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC[NH+](C(C)C)C(C)C)cc1OC ZINC001300062145 1067568348 /nfs/dbraw/zinc/56/83/48/1067568348.db2.gz WTORJXOICVXIGY-UHFFFAOYSA-N 2 1 486.705 4.392 20 0 JIADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3c[nH]nc3-c3ccc(Br)cc3)CC2)oc1C ZINC001200094823 1067597656 /nfs/dbraw/zinc/59/76/56/1067597656.db2.gz DWUDQCHYMJZGJB-UHFFFAOYSA-N 2 1 458.404 4.446 20 0 JIADMP Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492560283 1067947662 /nfs/dbraw/zinc/94/76/62/1067947662.db2.gz UEGXKERJWCXHGZ-GOTSBHOMSA-N 2 1 482.717 4.169 20 0 JIADMP Cc1ccccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492560283 1067947671 /nfs/dbraw/zinc/94/76/71/1067947671.db2.gz UEGXKERJWCXHGZ-GOTSBHOMSA-N 2 1 482.717 4.169 20 0 JIADMP COc1ccccc1-c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300505191 1068876071 /nfs/dbraw/zinc/87/60/71/1068876071.db2.gz AMRBJUYONRIKHP-UHFFFAOYSA-N 2 1 454.663 4.139 20 0 JIADMP CCCN(C(=O)[C@@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000849515850 1069102660 /nfs/dbraw/zinc/10/26/60/1069102660.db2.gz MXHSQJUKSZWOKO-PFBJBMPXSA-N 2 1 465.686 4.137 20 0 JIADMP CCCN(C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000849515850 1069102667 /nfs/dbraw/zinc/10/26/67/1069102667.db2.gz MXHSQJUKSZWOKO-PFBJBMPXSA-N 2 1 465.686 4.137 20 0 JIADMP CCCN(C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000849515850 1069102675 /nfs/dbraw/zinc/10/26/75/1069102675.db2.gz MXHSQJUKSZWOKO-PFBJBMPXSA-N 2 1 465.686 4.137 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C3(CCCCC3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849556115 1069201601 /nfs/dbraw/zinc/20/16/01/1069201601.db2.gz VNFSIGHJTIHRLV-KAYWLYCHSA-N 2 1 477.697 4.281 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849556115 1069201616 /nfs/dbraw/zinc/20/16/16/1069201616.db2.gz VNFSIGHJTIHRLV-KAYWLYCHSA-N 2 1 477.697 4.281 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849556115 1069201633 /nfs/dbraw/zinc/20/16/33/1069201633.db2.gz VNFSIGHJTIHRLV-KAYWLYCHSA-N 2 1 477.697 4.281 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3ccccc3)C3(CCCCC3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849556125 1069202568 /nfs/dbraw/zinc/20/25/68/1069202568.db2.gz VNFSIGHJTIHRLV-SVBPBHIXSA-N 2 1 477.697 4.281 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849556125 1069202594 /nfs/dbraw/zinc/20/25/94/1069202594.db2.gz VNFSIGHJTIHRLV-SVBPBHIXSA-N 2 1 477.697 4.281 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849556125 1069202612 /nfs/dbraw/zinc/20/26/12/1069202612.db2.gz VNFSIGHJTIHRLV-SVBPBHIXSA-N 2 1 477.697 4.281 20 0 JIADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)n2)CC1 ZINC001164666453 719444125 /nfs/dbraw/zinc/44/41/25/719444125.db2.gz CMAYNKQELQGTJI-OALUTQOASA-N 2 1 469.680 4.171 20 0 JIADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)n2)CC1 ZINC001164666453 719444129 /nfs/dbraw/zinc/44/41/29/719444129.db2.gz CMAYNKQELQGTJI-OALUTQOASA-N 2 1 469.680 4.171 20 0 JIADMP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164819753 720168306 /nfs/dbraw/zinc/16/83/06/720168306.db2.gz YBFNEFLDAPBACR-AMGIVPHBSA-N 2 1 483.726 4.479 20 0 JIADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164819753 720168307 /nfs/dbraw/zinc/16/83/07/720168307.db2.gz YBFNEFLDAPBACR-AMGIVPHBSA-N 2 1 483.726 4.479 20 0 JIADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)CC[C@@H]21 ZINC001164835018 720555568 /nfs/dbraw/zinc/55/55/68/720555568.db2.gz GSGWPNUDICWYEK-VTZPFEBOSA-N 2 1 473.600 4.193 20 0 JIADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)CC[C@@H]21 ZINC001164835018 720555573 /nfs/dbraw/zinc/55/55/73/720555573.db2.gz GSGWPNUDICWYEK-VTZPFEBOSA-N 2 1 473.600 4.193 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164736077 720580304 /nfs/dbraw/zinc/58/03/04/720580304.db2.gz ALOXZGWQERRAQP-UHFFFAOYSA-N 2 1 467.687 4.005 20 0 JIADMP FC1(F)CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907638 721709763 /nfs/dbraw/zinc/70/97/63/721709763.db2.gz SFBHYJQOFREGHE-QHCPKHFHSA-N 2 1 461.988 4.464 20 0 JIADMP FC1(F)CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907638 721709767 /nfs/dbraw/zinc/70/97/67/721709767.db2.gz SFBHYJQOFREGHE-QHCPKHFHSA-N 2 1 461.988 4.464 20 0 JIADMP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164972437 722125209 /nfs/dbraw/zinc/12/52/09/722125209.db2.gz FICVZTZSRNGOCP-SHQCIBLASA-N 2 1 453.590 4.207 20 0 JIADMP CC(C)(C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001359513032 1069796032 /nfs/dbraw/zinc/79/60/32/1069796032.db2.gz DFXFMZKONQRKSC-OALUTQOASA-N 2 1 462.683 4.170 20 0 JIADMP CC(C)(C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001359513032 1069796050 /nfs/dbraw/zinc/79/60/50/1069796050.db2.gz DFXFMZKONQRKSC-OALUTQOASA-N 2 1 462.683 4.170 20 0 JIADMP CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2CCCC[NH+]2CCC[C@H]2CO)CC1 ZINC001359548007 1069854346 /nfs/dbraw/zinc/85/43/46/1069854346.db2.gz KYXPHLFKQJEAGV-NRFANRHFSA-N 2 1 489.108 4.146 20 0 JIADMP CC(C)(C)[NH+]1CCCN(c2nnc(-c3ccccc3Cl)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001359548007 1069854347 /nfs/dbraw/zinc/85/43/47/1069854347.db2.gz KYXPHLFKQJEAGV-NRFANRHFSA-N 2 1 489.108 4.146 20 0 JIADMP CC(C)(C)[NH+]1CCCN(c2nnc(-c3ccccc3Cl)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001359548007 1069854348 /nfs/dbraw/zinc/85/43/48/1069854348.db2.gz KYXPHLFKQJEAGV-NRFANRHFSA-N 2 1 489.108 4.146 20 0 JIADMP COc1cccc([C@H](Cn2c(C)nnc2N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)[NH+](C)C)c1 ZINC001315548196 1064559399 /nfs/dbraw/zinc/55/93/99/1064559399.db2.gz XMTAJZPSUDHNCH-RLWLMLJZSA-N 2 1 468.690 4.379 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001315642423 1064806915 /nfs/dbraw/zinc/80/69/15/1064806915.db2.gz DKRDJQZRYMDLIL-QHCPKHFHSA-N 2 1 482.717 4.274 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001315642423 1064806918 /nfs/dbraw/zinc/80/69/18/1064806918.db2.gz DKRDJQZRYMDLIL-QHCPKHFHSA-N 2 1 482.717 4.274 20 0 JIADMP COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC001315705796 1064975441 /nfs/dbraw/zinc/97/54/41/1064975441.db2.gz UDOADBIZCWFGCA-UHFFFAOYSA-N 2 1 488.746 4.140 20 0 JIADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)ccn1 ZINC001331003699 1066355429 /nfs/dbraw/zinc/35/54/29/1066355429.db2.gz RKGXYAPOPUHMHM-QFIPXVFZSA-N 2 1 459.516 4.391 20 0 JIADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)ccn1 ZINC001331003699 1066355447 /nfs/dbraw/zinc/35/54/47/1066355447.db2.gz RKGXYAPOPUHMHM-QFIPXVFZSA-N 2 1 459.516 4.391 20 0 JIADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)ccn1 ZINC001331003699 1066355466 /nfs/dbraw/zinc/35/54/66/1066355466.db2.gz RKGXYAPOPUHMHM-QFIPXVFZSA-N 2 1 459.516 4.391 20 0 JIADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)CC1 ZINC001317962775 1066814810 /nfs/dbraw/zinc/81/48/10/1066814810.db2.gz ABLCAKMRGLQXFJ-UHFFFAOYSA-N 2 1 462.406 4.445 20 0 JIADMP COc1ccccc1[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[NH+]1CCCC1 ZINC001323085776 1067313590 /nfs/dbraw/zinc/31/35/90/1067313590.db2.gz KIWQRDPEGZBUBX-VWLOTQADSA-N 2 1 450.627 4.058 20 0 JIADMP Cc1cccc(-c2nnc(N(C)[C@@H]3CCC[NH+](Cc4ccccc4)C3)n2CCC[N@H+](C)C(C)C)n1 ZINC001492497286 1067336569 /nfs/dbraw/zinc/33/65/69/1067336569.db2.gz SFGBFGMXSKNMMI-RUZDIDTESA-N 2 1 475.685 4.480 20 0 JIADMP Cc1cccc(-c2nnc(N(C)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2CCC[NH+](C)C(C)C)n1 ZINC001492497286 1067336579 /nfs/dbraw/zinc/33/65/79/1067336579.db2.gz SFGBFGMXSKNMMI-RUZDIDTESA-N 2 1 475.685 4.480 20 0 JIADMP Cc1cccc(-c2nnc(N(C)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2CCC[NH+](C)C(C)C)n1 ZINC001492497286 1067336589 /nfs/dbraw/zinc/33/65/89/1067336589.db2.gz SFGBFGMXSKNMMI-RUZDIDTESA-N 2 1 475.685 4.480 20 0 JIADMP COc1ccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC2([NH+](C)C)CCCC2)cc1OC ZINC001300040635 1067463462 /nfs/dbraw/zinc/46/34/62/1067463462.db2.gz XQWKAFHEUIWCRQ-UHFFFAOYSA-N 2 1 498.716 4.393 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC001300061438 1067564121 /nfs/dbraw/zinc/56/41/21/1067564121.db2.gz HROYIFIOGGJEAV-JOCHJYFZSA-N 2 1 484.689 4.003 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H]2CCC[NH+](C(C)C)C2)c(OC)c1 ZINC001300061438 1067564138 /nfs/dbraw/zinc/56/41/38/1067564138.db2.gz HROYIFIOGGJEAV-JOCHJYFZSA-N 2 1 484.689 4.003 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H]2CCC[NH+](C(C)C)C2)c(OC)c1 ZINC001300061438 1067564155 /nfs/dbraw/zinc/56/41/55/1067564155.db2.gz HROYIFIOGGJEAV-JOCHJYFZSA-N 2 1 484.689 4.003 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2([NH+](C)C)CCCCC2)cc1OC ZINC001300061466 1067564854 /nfs/dbraw/zinc/56/48/54/1067564854.db2.gz ICGHTNJERQYLHD-UHFFFAOYSA-N 2 1 484.689 4.147 20 0 JIADMP C[C@H](c1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1)N1CCOCC1 ZINC001200122750 1067685800 /nfs/dbraw/zinc/68/58/00/1067685800.db2.gz VWDPFZUKDCBTBO-GOSISDBHSA-N 2 1 458.553 4.144 20 0 JIADMP COc1ccc(CCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300126419 1067753639 /nfs/dbraw/zinc/75/36/39/1067753639.db2.gz NLKILJQYLBPCLD-GOTSBHOMSA-N 2 1 482.717 4.113 20 0 JIADMP COc1cccc([C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)[NH+](C)C)c1 ZINC001300339758 1068320370 /nfs/dbraw/zinc/32/03/70/1068320370.db2.gz IVBVJFIVOJJXHV-VWLOTQADSA-N 2 1 491.684 4.271 20 0 JIADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CCN(C(=O)OCc4ccccc4)CC3)CC2)cs1 ZINC001200487964 1068726234 /nfs/dbraw/zinc/72/62/34/1068726234.db2.gz YTTAKDRNEBLJBP-UHFFFAOYSA-N 2 1 456.656 4.308 20 0 JIADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(C(F)(F)F)cc1 ZINC000849507860 1069089869 /nfs/dbraw/zinc/08/98/69/1069089869.db2.gz FXIIYNAPGPEWRM-WXFUMESZSA-N 2 1 493.618 4.452 20 0 JIADMP CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC000849512896 1069097785 /nfs/dbraw/zinc/09/77/85/1069097785.db2.gz MQLFOSGSFIKCKW-LGVFNWMJSA-N 2 1 494.511 4.377 20 0 JIADMP CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC000849512895 1069097963 /nfs/dbraw/zinc/09/79/63/1069097963.db2.gz MQLFOSGSFIKCKW-IMSXRSKXSA-N 2 1 494.511 4.377 20 0 JIADMP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849524755 1069119271 /nfs/dbraw/zinc/11/92/71/1069119271.db2.gz KFGHQJIPGOJYIM-DSITVLBTSA-N 2 1 472.077 4.058 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849524755 1069119276 /nfs/dbraw/zinc/11/92/76/1069119276.db2.gz KFGHQJIPGOJYIM-DSITVLBTSA-N 2 1 472.077 4.058 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849524755 1069119280 /nfs/dbraw/zinc/11/92/80/1069119280.db2.gz KFGHQJIPGOJYIM-DSITVLBTSA-N 2 1 472.077 4.058 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849524755 1069119288 /nfs/dbraw/zinc/11/92/88/1069119288.db2.gz KFGHQJIPGOJYIM-DSITVLBTSA-N 2 1 472.077 4.058 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001300610519 1069215304 /nfs/dbraw/zinc/21/53/04/1069215304.db2.gz PKYJINCIUKBFOQ-JOCHJYFZSA-N 2 1 468.690 4.027 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001300610519 1069215321 /nfs/dbraw/zinc/21/53/21/1069215321.db2.gz PKYJINCIUKBFOQ-JOCHJYFZSA-N 2 1 468.690 4.027 20 0 JIADMP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849568950 1069220196 /nfs/dbraw/zinc/22/01/96/1069220196.db2.gz QRCHQZAFVVJQSR-NSOVKSMOSA-N 2 1 483.660 4.148 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849568950 1069220212 /nfs/dbraw/zinc/22/02/12/1069220212.db2.gz QRCHQZAFVVJQSR-NSOVKSMOSA-N 2 1 483.660 4.148 20 0 JIADMP c1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@H]4C[NH2+]CC[C@H]4C3)c2c1-c1ccccc1 ZINC001164408939 718863859 /nfs/dbraw/zinc/86/38/59/718863859.db2.gz OAEIZGSMILAMLH-UNMCSNQZSA-N 2 1 463.651 4.159 20 0 JIADMP c1csc(-c2csc3nc(C[NH+]4CCCCC4)nc(N4CCO[C@H]5C[NH2+]CC[C@H]5C4)c23)c1 ZINC001164406522 718864185 /nfs/dbraw/zinc/86/41/85/718864185.db2.gz HFKDDSVDMJRHNM-HKUYNNGSSA-N 2 1 469.680 4.220 20 0 JIADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CCO[C@H]4C[NH2+]CC[C@H]4C3)n2)CC1 ZINC001164405012 718864194 /nfs/dbraw/zinc/86/41/94/718864194.db2.gz CEAJDZWNVOZKII-ICSRJNTNSA-N 2 1 483.707 4.466 20 0 JIADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164682658 719653693 /nfs/dbraw/zinc/65/36/93/719653693.db2.gz SNGPCQTWHGPQHY-UHFFFAOYSA-N 2 1 464.923 4.216 20 0 JIADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164682658 719653700 /nfs/dbraw/zinc/65/37/00/719653700.db2.gz SNGPCQTWHGPQHY-UHFFFAOYSA-N 2 1 464.923 4.216 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001164690650 719760560 /nfs/dbraw/zinc/76/05/60/719760560.db2.gz GOJKHWXQURHTKP-BVZFJXPGSA-N 2 1 484.645 4.343 20 0 JIADMP c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164735117 720439098 /nfs/dbraw/zinc/43/90/98/720439098.db2.gz WEYLMMYGMZDWAI-FCHUYYIVSA-N 2 1 474.678 4.414 20 0 JIADMP c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164735117 720439115 /nfs/dbraw/zinc/43/91/15/720439115.db2.gz WEYLMMYGMZDWAI-FCHUYYIVSA-N 2 1 474.678 4.414 20 0 JIADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1CC[NH+](Cc1ccccc1)C3)CC2 ZINC001164839523 720685049 /nfs/dbraw/zinc/68/50/49/720685049.db2.gz AIRJRELKANETMQ-SANMLTNESA-N 2 1 483.660 4.295 20 0 JIADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1CC[NH+](Cc1ccccc1)C3)CC2 ZINC001164839523 720685051 /nfs/dbraw/zinc/68/50/51/720685051.db2.gz AIRJRELKANETMQ-SANMLTNESA-N 2 1 483.660 4.295 20 0 JIADMP C[NH+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164839523 720685053 /nfs/dbraw/zinc/68/50/53/720685053.db2.gz AIRJRELKANETMQ-SANMLTNESA-N 2 1 483.660 4.295 20 0 JIADMP C[NH+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164839523 720685055 /nfs/dbraw/zinc/68/50/55/720685055.db2.gz AIRJRELKANETMQ-SANMLTNESA-N 2 1 483.660 4.295 20 0 JIADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1CC[NH+](Cc1ccccc1)C3)CC2 ZINC001164839522 720685628 /nfs/dbraw/zinc/68/56/28/720685628.db2.gz AIRJRELKANETMQ-AREMUKBSSA-N 2 1 483.660 4.295 20 0 JIADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1CC[NH+](Cc1ccccc1)C3)CC2 ZINC001164839522 720685631 /nfs/dbraw/zinc/68/56/31/720685631.db2.gz AIRJRELKANETMQ-AREMUKBSSA-N 2 1 483.660 4.295 20 0 JIADMP C[NH+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164839522 720685637 /nfs/dbraw/zinc/68/56/37/720685637.db2.gz AIRJRELKANETMQ-AREMUKBSSA-N 2 1 483.660 4.295 20 0 JIADMP C[NH+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164839522 720685645 /nfs/dbraw/zinc/68/56/45/720685645.db2.gz AIRJRELKANETMQ-AREMUKBSSA-N 2 1 483.660 4.295 20 0 JIADMP COc1ccc(CN(C)c2cc[nH+]c(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)n2)cc1 ZINC001164840323 720724906 /nfs/dbraw/zinc/72/49/06/720724906.db2.gz PDYGGZYOYRXQEO-VWLOTQADSA-N 2 1 487.648 4.382 20 0 JIADMP COc1ccc(CN(C)c2cc[nH+]c(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)n2)cc1 ZINC001164840323 720724918 /nfs/dbraw/zinc/72/49/18/720724918.db2.gz PDYGGZYOYRXQEO-VWLOTQADSA-N 2 1 487.648 4.382 20 0 JIADMP COc1ccc2c(cc[nH+]c2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164752971 720879366 /nfs/dbraw/zinc/87/93/66/720879366.db2.gz OADBZNDJSBWVFB-UFHPHHKVSA-N 2 1 458.606 4.394 20 0 JIADMP COc1ccc2c(cc[nH+]c2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164752971 720879368 /nfs/dbraw/zinc/87/93/68/720879368.db2.gz OADBZNDJSBWVFB-UFHPHHKVSA-N 2 1 458.606 4.394 20 0 JIADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754391 720904693 /nfs/dbraw/zinc/90/46/93/720904693.db2.gz ITNAJAFKVVMDBF-WNCULLNHSA-N 2 1 460.626 4.162 20 0 JIADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754391 720904703 /nfs/dbraw/zinc/90/47/03/720904703.db2.gz ITNAJAFKVVMDBF-WNCULLNHSA-N 2 1 460.626 4.162 20 0 JIADMP Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)CC[N@H+]3C2)c1 ZINC001164907218 721568085 /nfs/dbraw/zinc/56/80/85/721568085.db2.gz MTYGRCCPVGTKPT-FPOVZHCZSA-N 2 1 478.946 4.138 20 0 JIADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)CC[N@H+]3C2)c1 ZINC001164907220 721568114 /nfs/dbraw/zinc/56/81/14/721568114.db2.gz MTYGRCCPVGTKPT-TZIWHRDSSA-N 2 1 478.946 4.138 20 0 JIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ccc(C)nn2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC001164963946 722025754 /nfs/dbraw/zinc/02/57/54/722025754.db2.gz UTWIAVLGEBKFDF-PPJWLVRDSA-N 2 1 450.631 4.166 20 0 JIADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962566 722060567 /nfs/dbraw/zinc/06/05/67/722060567.db2.gz UNBIQTJRNRROAM-UHFFFAOYSA-N 2 1 457.622 4.349 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001300651964 1069338010 /nfs/dbraw/zinc/33/80/10/1069338010.db2.gz HRUGLYAVFKCNIT-HSZRJFAPSA-N 2 1 498.716 4.441 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCC[NH+]1CCCC[C@H]1C ZINC001300651964 1069338022 /nfs/dbraw/zinc/33/80/22/1069338022.db2.gz HRUGLYAVFKCNIT-HSZRJFAPSA-N 2 1 498.716 4.441 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCC[NH+]1CCCC[C@H]1C ZINC001300651964 1069338037 /nfs/dbraw/zinc/33/80/37/1069338037.db2.gz HRUGLYAVFKCNIT-HSZRJFAPSA-N 2 1 498.716 4.441 20 0 JIADMP CC(C)(C)Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359540211 1069837377 /nfs/dbraw/zinc/83/73/77/1069837377.db2.gz MMJUFNKJTSJQRH-UHFFFAOYSA-N 2 1 458.720 4.372 20 0 JIADMP CC(C)(C)Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001359540211 1069837378 /nfs/dbraw/zinc/83/73/78/1069837378.db2.gz MMJUFNKJTSJQRH-UHFFFAOYSA-N 2 1 458.720 4.372 20 0 JIADMP CC(C)(C)CC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC001359545917 1069849303 /nfs/dbraw/zinc/84/93/03/1069849303.db2.gz KVVKJMQGPKSUFE-RUZDIDTESA-N 2 1 496.744 4.139 20 0 JIADMP CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC001359685563 1070341463 /nfs/dbraw/zinc/34/14/63/1070341463.db2.gz XAHSBEOYAGJWFV-SRNFOCHHSA-N 2 1 482.717 4.248 20 0 JIADMP CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC001359685563 1070341482 /nfs/dbraw/zinc/34/14/82/1070341482.db2.gz XAHSBEOYAGJWFV-SRNFOCHHSA-N 2 1 482.717 4.248 20 0 JIADMP CC(C)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359685563 1070341489 /nfs/dbraw/zinc/34/14/89/1070341489.db2.gz XAHSBEOYAGJWFV-SRNFOCHHSA-N 2 1 482.717 4.248 20 0 JIADMP CC(C)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001359685563 1070341507 /nfs/dbraw/zinc/34/15/07/1070341507.db2.gz XAHSBEOYAGJWFV-SRNFOCHHSA-N 2 1 482.717 4.248 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001316129097 1065801155 /nfs/dbraw/zinc/80/11/55/1065801155.db2.gz LUVZRHJGSZGVPS-HXUWFJFHSA-N 2 1 475.081 4.020 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001316129097 1065801158 /nfs/dbraw/zinc/80/11/58/1065801158.db2.gz LUVZRHJGSZGVPS-HXUWFJFHSA-N 2 1 475.081 4.020 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001316129097 1065801162 /nfs/dbraw/zinc/80/11/62/1065801162.db2.gz LUVZRHJGSZGVPS-HXUWFJFHSA-N 2 1 475.081 4.020 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C[C@@H]1C ZINC001316133771 1065802476 /nfs/dbraw/zinc/80/24/76/1065802476.db2.gz PVZYPHPGLAJSQF-UKILVPOCSA-N 2 1 482.717 4.169 20 0 JIADMP Cc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCC[NH+]2CCCC[C@@H]2C)n1 ZINC001492511761 1066347395 /nfs/dbraw/zinc/34/73/95/1066347395.db2.gz IQZTVKOZPKTTMV-QHCPKHFHSA-N 2 1 467.706 4.470 20 0 JIADMP Cc1cccc(-c2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2CCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC001492511761 1066347410 /nfs/dbraw/zinc/34/74/10/1066347410.db2.gz IQZTVKOZPKTTMV-QHCPKHFHSA-N 2 1 467.706 4.470 20 0 JIADMP Cc1cccc(-c2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2CCC[N@H+]2CCCC[C@@H]2C)n1 ZINC001492511761 1066347421 /nfs/dbraw/zinc/34/74/21/1066347421.db2.gz IQZTVKOZPKTTMV-QHCPKHFHSA-N 2 1 467.706 4.470 20 0 JIADMP C[C@@H]1C[N@H+](CC2CCN(c3nnc(C(C)(C)C)n3CCC[NH+](C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001316504101 1066473144 /nfs/dbraw/zinc/47/31/44/1066473144.db2.gz KDQAKHNOYFZQLU-PSWAGMNNSA-N 2 1 496.744 4.423 20 0 JIADMP C[C@@H]1C[NH+](CC2CCN(c3nnc(C(C)(C)C)n3CCC[N@H+](C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001316504101 1066473163 /nfs/dbraw/zinc/47/31/63/1066473163.db2.gz KDQAKHNOYFZQLU-PSWAGMNNSA-N 2 1 496.744 4.423 20 0 JIADMP C[C@@H]1C[NH+](CC2CCN(c3nnc(C(C)(C)C)n3CCC[N@@H+](C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001316504101 1066473173 /nfs/dbraw/zinc/47/31/73/1066473173.db2.gz KDQAKHNOYFZQLU-PSWAGMNNSA-N 2 1 496.744 4.423 20 0 JIADMP Cc1cccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001492546476 1066826681 /nfs/dbraw/zinc/82/66/81/1066826681.db2.gz WOISAAVCHOHTOE-RUZDIDTESA-N 2 1 468.690 4.206 20 0 JIADMP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3cn(Cc4ccccc4)nc3-c3cccnc3)c2)CC1 ZINC001318340390 1067024256 /nfs/dbraw/zinc/02/42/56/1067024256.db2.gz NIWIGYLKAJBLLE-UHFFFAOYSA-N 2 1 466.633 4.031 20 0 JIADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC001351221976 1067060731 /nfs/dbraw/zinc/06/07/31/1067060731.db2.gz XDZDWANBXZFTEN-UHFFFAOYSA-N 2 1 450.970 4.247 20 0 JIADMP COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001300786581 1067349223 /nfs/dbraw/zinc/34/92/23/1067349223.db2.gz QYQBNNGCKFQMDA-UHFFFAOYSA-N 2 1 496.744 4.468 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001300061431 1067564259 /nfs/dbraw/zinc/56/42/59/1067564259.db2.gz HKXKBSXTHYNKML-UHFFFAOYSA-N 2 1 468.690 4.386 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300062691 1067570903 /nfs/dbraw/zinc/57/09/03/1067570903.db2.gz IUKIOVQAFBGOPK-DEOSSOPVSA-N 2 1 498.716 4.393 20 0 JIADMP COc1ccc(Oc2ccc(C[NH2+]Cc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)cc2)cc1 ZINC001200346639 1068167405 /nfs/dbraw/zinc/16/74/05/1068167405.db2.gz PNWQMKHPVVKGHL-XMMPIXPASA-N 2 1 459.590 4.475 20 0 JIADMP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(C(C)C)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001300332651 1068284728 /nfs/dbraw/zinc/28/47/28/1068284728.db2.gz MWTGRESRDBLFEH-FYYLOGMGSA-N 2 1 456.679 4.270 20 0 JIADMP Cc1ccccc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001492567295 1068832221 /nfs/dbraw/zinc/83/22/21/1068832221.db2.gz BRCLFXSQKMVBQU-RUZDIDTESA-N 2 1 456.704 4.001 20 0 JIADMP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849482605 1069051845 /nfs/dbraw/zinc/05/18/45/1069051845.db2.gz RWYAJEVUZJTIKJ-NSOVKSMOSA-N 2 1 485.676 4.168 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849482605 1069051852 /nfs/dbraw/zinc/05/18/52/1069051852.db2.gz RWYAJEVUZJTIKJ-NSOVKSMOSA-N 2 1 485.676 4.168 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001300567984 1069064299 /nfs/dbraw/zinc/06/42/99/1069064299.db2.gz QSQCNXZYAQECGG-UHFFFAOYSA-N 2 1 482.717 4.310 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849525960 1069123020 /nfs/dbraw/zinc/12/30/20/1069123020.db2.gz PUTBDMOEADPDGM-NSOVKSMOSA-N 2 1 479.713 4.085 20 0 JIADMP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849568949 1069220107 /nfs/dbraw/zinc/22/01/07/1069220107.db2.gz QRCHQZAFVVJQSR-IZLXSDGUSA-N 2 1 483.660 4.148 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849568949 1069220123 /nfs/dbraw/zinc/22/01/23/1069220123.db2.gz QRCHQZAFVVJQSR-IZLXSDGUSA-N 2 1 483.660 4.148 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849574483 1069225100 /nfs/dbraw/zinc/22/51/00/1069225100.db2.gz YJZUIMFLGFOCCX-CLJLJLNGSA-N 2 1 451.659 4.147 20 0 JIADMP CC(C)[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849575271 1069227260 /nfs/dbraw/zinc/22/72/60/1069227260.db2.gz ZSSXPULVUOIZDH-RPWUZVMVSA-N 2 1 492.495 4.322 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849575271 1069227276 /nfs/dbraw/zinc/22/72/76/1069227276.db2.gz ZSSXPULVUOIZDH-RPWUZVMVSA-N 2 1 492.495 4.322 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300615739 1069229741 /nfs/dbraw/zinc/22/97/41/1069229741.db2.gz XIKOHMFHHFJLNH-PSWAGMNNSA-N 2 1 482.717 4.175 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300615739 1069229759 /nfs/dbraw/zinc/22/97/59/1069229759.db2.gz XIKOHMFHHFJLNH-PSWAGMNNSA-N 2 1 482.717 4.175 20 0 JIADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C(C)C)C[C@H]2c2cnn(C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000849578895 1069231004 /nfs/dbraw/zinc/23/10/04/1069231004.db2.gz YFNPUELZSQXPJN-MHOPESGUSA-N 2 1 490.067 4.367 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C(C)C)C[C@H]2c2cnn(C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000849578895 1069231016 /nfs/dbraw/zinc/23/10/16/1069231016.db2.gz YFNPUELZSQXPJN-MHOPESGUSA-N 2 1 490.067 4.367 20 0 JIADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000849578895 1069231027 /nfs/dbraw/zinc/23/10/27/1069231027.db2.gz YFNPUELZSQXPJN-MHOPESGUSA-N 2 1 490.067 4.367 20 0 JIADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000849578895 1069231038 /nfs/dbraw/zinc/23/10/38/1069231038.db2.gz YFNPUELZSQXPJN-MHOPESGUSA-N 2 1 490.067 4.367 20 0 JIADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000849592011 1069244128 /nfs/dbraw/zinc/24/41/28/1069244128.db2.gz MFYKIAIHGALLCX-KMDXXIMOSA-N 2 1 460.066 4.087 20 0 JIADMP CCC[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000849592011 1069244144 /nfs/dbraw/zinc/24/41/44/1069244144.db2.gz MFYKIAIHGALLCX-KMDXXIMOSA-N 2 1 460.066 4.087 20 0 JIADMP CCC[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000849592011 1069244157 /nfs/dbraw/zinc/24/41/57/1069244157.db2.gz MFYKIAIHGALLCX-KMDXXIMOSA-N 2 1 460.066 4.087 20 0 JIADMP c1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)c2c1-c1ccccc1 ZINC001164408937 718864014 /nfs/dbraw/zinc/86/40/14/718864014.db2.gz OAEIZGSMILAMLH-RBBKRZOGSA-N 2 1 463.651 4.159 20 0 JIADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)c2c1CC[NH2+]C2 ZINC001164684764 719624942 /nfs/dbraw/zinc/62/49/42/719624942.db2.gz XKHFRAHEIRJMNT-UHFFFAOYSA-N 2 1 455.340 4.217 20 0 JIADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)c2c1CC[NH2+]C2 ZINC001164684764 719624955 /nfs/dbraw/zinc/62/49/55/719624955.db2.gz XKHFRAHEIRJMNT-UHFFFAOYSA-N 2 1 455.340 4.217 20 0 JIADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(-c3cccs3)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164680540 719641257 /nfs/dbraw/zinc/64/12/57/719641257.db2.gz VDTVIDOHIIIZJT-UHFFFAOYSA-N 2 1 452.962 4.139 20 0 JIADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(-c3cccs3)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164680540 719641261 /nfs/dbraw/zinc/64/12/61/719641261.db2.gz VDTVIDOHIIIZJT-UHFFFAOYSA-N 2 1 452.962 4.139 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(c3ncccc3F)[C@@H]3CO[C@]4(CC[NH2+]C4)C3)c2c1C ZINC001164693403 719761488 /nfs/dbraw/zinc/76/14/88/719761488.db2.gz ZDXFRFCGYLXDII-AVRWGWEMSA-N 2 1 482.629 4.097 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164732913 720439587 /nfs/dbraw/zinc/43/95/87/720439587.db2.gz OUUHVCHTBGTWJO-LEWJYISDSA-N 2 1 450.656 4.398 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164732913 720439596 /nfs/dbraw/zinc/43/95/96/720439596.db2.gz OUUHVCHTBGTWJO-LEWJYISDSA-N 2 1 450.656 4.398 20 0 JIADMP COc1cc2cc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cc1OC ZINC001164754568 720893418 /nfs/dbraw/zinc/89/34/18/720893418.db2.gz JLUWEBPWLYDZRB-FUFSCUOVSA-N 2 1 488.632 4.402 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001300653681 1069343460 /nfs/dbraw/zinc/34/34/60/1069343460.db2.gz YLGJCRSROIHHTM-HSZRJFAPSA-N 2 1 484.689 4.051 20 0 JIADMP CC(C)(C)CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCc3ccccc3C2)CC1 ZINC001359545855 1069849324 /nfs/dbraw/zinc/84/93/24/1069849324.db2.gz IKOJDSDKXLKUCE-UHFFFAOYSA-N 2 1 452.691 4.192 20 0 JIADMP CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001359546489 1069850307 /nfs/dbraw/zinc/85/03/07/1069850307.db2.gz GVIHJAZRUVSEBE-UHFFFAOYSA-N 2 1 457.066 4.419 20 0 JIADMP CC(C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001359658904 1070260174 /nfs/dbraw/zinc/26/01/74/1070260174.db2.gz LHBNRUDLWJAHGS-NRFANRHFSA-N 2 1 474.097 4.425 20 0 JIADMP CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC001359685562 1070341993 /nfs/dbraw/zinc/34/19/93/1070341993.db2.gz XAHSBEOYAGJWFV-QJXQVQFTSA-N 2 1 482.717 4.248 20 0 JIADMP CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC001359685562 1070342002 /nfs/dbraw/zinc/34/20/02/1070342002.db2.gz XAHSBEOYAGJWFV-QJXQVQFTSA-N 2 1 482.717 4.248 20 0 JIADMP CC(C)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359685562 1070342022 /nfs/dbraw/zinc/34/20/22/1070342022.db2.gz XAHSBEOYAGJWFV-QJXQVQFTSA-N 2 1 482.717 4.248 20 0 JIADMP CC(C)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001359685562 1070342041 /nfs/dbraw/zinc/34/20/41/1070342041.db2.gz XAHSBEOYAGJWFV-QJXQVQFTSA-N 2 1 482.717 4.248 20 0 JIADMP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCC[C@H](C)C3)CC2)c1 ZINC001315545279 1064550088 /nfs/dbraw/zinc/55/00/88/1064550088.db2.gz MUAQXNIGXOLOIU-XZOQPEGZSA-N 2 1 482.717 4.490 20 0 JIADMP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCC[C@H](C)C3)CC2)c1 ZINC001315545279 1064550101 /nfs/dbraw/zinc/55/01/01/1064550101.db2.gz MUAQXNIGXOLOIU-XZOQPEGZSA-N 2 1 482.717 4.490 20 0 JIADMP COc1cccc([C@@H](Cn2c(C)nnc2N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)[NH+](C)C)c1 ZINC001315548195 1064559135 /nfs/dbraw/zinc/55/91/35/1064559135.db2.gz XMTAJZPSUDHNCH-QFQXNSOFSA-N 2 1 468.690 4.379 20 0 JIADMP COc1cccc(-c2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001315557963 1064579321 /nfs/dbraw/zinc/57/93/21/1064579321.db2.gz OCTVASXFDLWYMZ-JOCHJYFZSA-N 2 1 468.690 4.242 20 0 JIADMP COc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC[NH+]2CCC[C@@H](C)C2)c1 ZINC001315557963 1064579328 /nfs/dbraw/zinc/57/93/28/1064579328.db2.gz OCTVASXFDLWYMZ-JOCHJYFZSA-N 2 1 468.690 4.242 20 0 JIADMP COc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC[NH+]2CCC[C@@H](C)C2)c1 ZINC001315557963 1064579350 /nfs/dbraw/zinc/57/93/50/1064579350.db2.gz OCTVASXFDLWYMZ-JOCHJYFZSA-N 2 1 468.690 4.242 20 0 JIADMP COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001315705800 1064976145 /nfs/dbraw/zinc/97/61/45/1064976145.db2.gz UHUVRFIJTKWBAZ-UHFFFAOYSA-N 2 1 486.680 4.284 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC[NH+](C)C(C)C)C[C@H]1C ZINC001316125444 1065795299 /nfs/dbraw/zinc/79/52/99/1065795299.db2.gz JVOFWIXTSLBHQP-OAQYLSRUSA-N 2 1 488.746 4.163 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC[N@H+](C)C(C)C)C[C@H]1C ZINC001316125444 1065795313 /nfs/dbraw/zinc/79/53/13/1065795313.db2.gz JVOFWIXTSLBHQP-OAQYLSRUSA-N 2 1 488.746 4.163 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC[N@@H+](C)C(C)C)C[C@H]1C ZINC001316125444 1065795336 /nfs/dbraw/zinc/79/53/36/1065795336.db2.gz JVOFWIXTSLBHQP-OAQYLSRUSA-N 2 1 488.746 4.163 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C[C@@H]1C ZINC001316133773 1065802385 /nfs/dbraw/zinc/80/23/85/1065802385.db2.gz PVZYPHPGLAJSQF-ZCYQVOJMSA-N 2 1 482.717 4.169 20 0 JIADMP Cc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492510909 1066342908 /nfs/dbraw/zinc/34/29/08/1066342908.db2.gz GRNNVTNPISIMPQ-SZPZYZBQSA-N 2 1 467.706 4.373 20 0 JIADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)ccn1 ZINC001331003698 1066355008 /nfs/dbraw/zinc/35/50/08/1066355008.db2.gz RKGXYAPOPUHMHM-JOCHJYFZSA-N 2 1 459.516 4.391 20 0 JIADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)ccn1 ZINC001331003698 1066355025 /nfs/dbraw/zinc/35/50/25/1066355025.db2.gz RKGXYAPOPUHMHM-JOCHJYFZSA-N 2 1 459.516 4.391 20 0 JIADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)ccn1 ZINC001331003698 1066355042 /nfs/dbraw/zinc/35/50/42/1066355042.db2.gz RKGXYAPOPUHMHM-JOCHJYFZSA-N 2 1 459.516 4.391 20 0 JIADMP Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC001492515962 1066363671 /nfs/dbraw/zinc/36/36/71/1066363671.db2.gz JNRMWFGCBNEEOO-LVXARBLLSA-N 2 1 453.679 4.080 20 0 JIADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c2)C1 ZINC001322611714 1067306720 /nfs/dbraw/zinc/30/67/20/1067306720.db2.gz SRWQPPHAOVGIDK-SFHVURJKSA-N 2 1 463.981 4.327 20 0 JIADMP COC1CC[NH+](C(C)(C)Cn2c(N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001300787556 1067351460 /nfs/dbraw/zinc/35/14/60/1067351460.db2.gz VBEYJHIRTOUHQH-QHCPKHFHSA-N 2 1 482.717 4.176 20 0 JIADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001356091314 1067656763 /nfs/dbraw/zinc/65/67/63/1067656763.db2.gz MQCHXYXGJGWKKF-NRFANRHFSA-N 2 1 456.428 4.052 20 0 JIADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001356091314 1067656768 /nfs/dbraw/zinc/65/67/68/1067656768.db2.gz MQCHXYXGJGWKKF-NRFANRHFSA-N 2 1 456.428 4.052 20 0 JIADMP Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001492560128 1067888021 /nfs/dbraw/zinc/88/80/21/1067888021.db2.gz SBQZVLNWJPAATK-QHCPKHFHSA-N 2 1 482.698 4.165 20 0 JIADMP Cc1ccccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001492560128 1067888022 /nfs/dbraw/zinc/88/80/22/1067888022.db2.gz SBQZVLNWJPAATK-QHCPKHFHSA-N 2 1 482.698 4.165 20 0 JIADMP Cc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001492585648 1068126045 /nfs/dbraw/zinc/12/60/45/1068126045.db2.gz LEVMYHOEMLUDCS-HSZRJFAPSA-N 2 1 452.691 4.220 20 0 JIADMP COc1ccccc1S(=O)(=O)CCC[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001473597066 1068262892 /nfs/dbraw/zinc/26/28/92/1068262892.db2.gz MXUQMHRCKGBEDJ-UHFFFAOYSA-N 2 1 456.652 4.237 20 0 JIADMP COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001300374665 1068440487 /nfs/dbraw/zinc/44/04/87/1068440487.db2.gz JLUPCPFQXHRROA-NRFANRHFSA-N 2 1 454.663 4.185 20 0 JIADMP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCc3sccc3C2)[C@H](c2cnn(C)c2)C1 ZINC000849500389 1069071248 /nfs/dbraw/zinc/07/12/48/1069071248.db2.gz HSYBYZRNIBKPQQ-KKUQBAQOSA-N 2 1 491.705 4.211 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCc3sccc3C2)[C@H](c2cnn(C)c2)C1 ZINC000849500389 1069071254 /nfs/dbraw/zinc/07/12/54/1069071254.db2.gz HSYBYZRNIBKPQQ-KKUQBAQOSA-N 2 1 491.705 4.211 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)[C@H](c2cnn(C)c2)C1 ZINC000849500389 1069071257 /nfs/dbraw/zinc/07/12/57/1069071257.db2.gz HSYBYZRNIBKPQQ-KKUQBAQOSA-N 2 1 491.705 4.211 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)[C@H](c2cnn(C)c2)C1 ZINC000849500389 1069071266 /nfs/dbraw/zinc/07/12/66/1069071266.db2.gz HSYBYZRNIBKPQQ-KKUQBAQOSA-N 2 1 491.705 4.211 20 0 JIADMP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849524757 1069119199 /nfs/dbraw/zinc/11/91/99/1069119199.db2.gz KFGHQJIPGOJYIM-SDHOMARFSA-N 2 1 472.077 4.058 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849524757 1069119206 /nfs/dbraw/zinc/11/92/06/1069119206.db2.gz KFGHQJIPGOJYIM-SDHOMARFSA-N 2 1 472.077 4.058 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849524757 1069119217 /nfs/dbraw/zinc/11/92/17/1069119217.db2.gz KFGHQJIPGOJYIM-SDHOMARFSA-N 2 1 472.077 4.058 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849524757 1069119226 /nfs/dbraw/zinc/11/92/26/1069119226.db2.gz KFGHQJIPGOJYIM-SDHOMARFSA-N 2 1 472.077 4.058 20 0 JIADMP CCC(CC)(CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000849545901 1069182076 /nfs/dbraw/zinc/18/20/76/1069182076.db2.gz YIIFIQVIAVMYTA-FTBPSBKWSA-N 2 1 453.675 4.260 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nc3ccc(C[NH+](C)C4CC4)cc3s2)[C@H](c2cnn(C)c2)C1 ZINC000849607970 1069265332 /nfs/dbraw/zinc/26/53/32/1069265332.db2.gz MMIJODCPOVMAJP-RTWAWAEBSA-N 2 1 466.655 4.077 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)Nc2nc3ccc(C[N@H+](C)C4CC4)cc3s2)[C@H](c2cnn(C)c2)C1 ZINC000849607970 1069265348 /nfs/dbraw/zinc/26/53/48/1069265348.db2.gz MMIJODCPOVMAJP-RTWAWAEBSA-N 2 1 466.655 4.077 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)[C@H](c2cnn(C)c2)C1 ZINC000849607970 1069265361 /nfs/dbraw/zinc/26/53/61/1069265361.db2.gz MMIJODCPOVMAJP-RTWAWAEBSA-N 2 1 466.655 4.077 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849607893 1069265397 /nfs/dbraw/zinc/26/53/97/1069265397.db2.gz ZPJYLLSMMADBNB-JWQCQUIFSA-N 2 1 469.699 4.451 20 0 JIADMP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849611148 1069270453 /nfs/dbraw/zinc/27/04/53/1069270453.db2.gz UGKMSTYXRXDNEK-LOSJGSFVSA-N 2 1 474.093 4.258 20 0 JIADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CC[C@H]4[NH2+]CCO[C@@H]4C3)n2)CC1 ZINC001164389745 718824991 /nfs/dbraw/zinc/82/49/91/718824991.db2.gz JMSUUBQWZZWJEW-RTBURBONSA-N 2 1 469.680 4.219 20 0 JIADMP CC(C)N(c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@H](C)C3)c1ncnc2c1CC[NH2+]CC2 ZINC001164660677 719345178 /nfs/dbraw/zinc/34/51/78/719345178.db2.gz JTFIFJYILRNGFJ-SFHVURJKSA-N 2 1 491.709 4.437 20 0 JIADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164819754 720168354 /nfs/dbraw/zinc/16/83/54/720168354.db2.gz YBFNEFLDAPBACR-CUNXSJBXSA-N 2 1 483.726 4.479 20 0 JIADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164819754 720168359 /nfs/dbraw/zinc/16/83/59/720168359.db2.gz YBFNEFLDAPBACR-CUNXSJBXSA-N 2 1 483.726 4.479 20 0 JIADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164817530 720169726 /nfs/dbraw/zinc/16/97/26/720169726.db2.gz PSTYKUPICKJPLQ-LVXARBLLSA-N 2 1 469.699 4.089 20 0 JIADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164817530 720169728 /nfs/dbraw/zinc/16/97/28/720169728.db2.gz PSTYKUPICKJPLQ-LVXARBLLSA-N 2 1 469.699 4.089 20 0 JIADMP c1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164735118 720440536 /nfs/dbraw/zinc/44/05/36/720440536.db2.gz WEYLMMYGMZDWAI-FGZHOGPDSA-N 2 1 474.678 4.414 20 0 JIADMP c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164735118 720440542 /nfs/dbraw/zinc/44/05/42/720440542.db2.gz WEYLMMYGMZDWAI-FGZHOGPDSA-N 2 1 474.678 4.414 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164732918 720440892 /nfs/dbraw/zinc/44/08/92/720440892.db2.gz OUUHVCHTBGTWJO-NHCUHLMSSA-N 2 1 450.656 4.398 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164732918 720440899 /nfs/dbraw/zinc/44/08/99/720440899.db2.gz OUUHVCHTBGTWJO-NHCUHLMSSA-N 2 1 450.656 4.398 20 0 JIADMP c1nc(C[NH2+]C2CCC2)c2n1CCCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164843114 720740478 /nfs/dbraw/zinc/74/04/78/720740478.db2.gz JCZGLAXMLBJIEK-UHFFFAOYSA-N 2 1 491.709 4.415 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)n1 ZINC001164961251 722051323 /nfs/dbraw/zinc/05/13/23/722051323.db2.gz WUAKSEMLRGQHGC-ROKPMTFOSA-N 2 1 480.682 4.450 20 0 JIADMP COc1ccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001315531135 1064516061 /nfs/dbraw/zinc/51/60/61/1064516061.db2.gz SDJKXJPSXJUWOP-QFIPXVFZSA-N 2 1 486.705 4.153 20 0 JIADMP COc1cccc(-c2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2CC[N@H+]2CCC[C@H](C)C2)c1 ZINC001315557966 1064579506 /nfs/dbraw/zinc/57/95/06/1064579506.db2.gz OCTVASXFDLWYMZ-QFIPXVFZSA-N 2 1 468.690 4.242 20 0 JIADMP COc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC[NH+]2CCC[C@H](C)C2)c1 ZINC001315557966 1064579527 /nfs/dbraw/zinc/57/95/27/1064579527.db2.gz OCTVASXFDLWYMZ-QFIPXVFZSA-N 2 1 468.690 4.242 20 0 JIADMP COc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC[NH+]2CCC[C@H](C)C2)c1 ZINC001315557966 1064579544 /nfs/dbraw/zinc/57/95/44/1064579544.db2.gz OCTVASXFDLWYMZ-QFIPXVFZSA-N 2 1 468.690 4.242 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)C)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001315643514 1064809681 /nfs/dbraw/zinc/80/96/81/1064809681.db2.gz QAJPLAPYUQFNSK-UHFFFAOYSA-N 2 1 468.690 4.244 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CCCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001316130455 1065801915 /nfs/dbraw/zinc/80/19/15/1065801915.db2.gz WVBVOBSYDNCBNW-QFIPXVFZSA-N 2 1 489.108 4.268 20 0 JIADMP CSC1(Cn2c(-c3ccccc3F)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC[NH+](C)CC1 ZINC001316404977 1066187182 /nfs/dbraw/zinc/18/71/82/1066187182.db2.gz USQBAQGQRXSHOE-UHFFFAOYSA-N 2 1 474.694 4.222 20 0 JIADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccc(Cl)c3)n2CC[NH+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC001316503840 1066471542 /nfs/dbraw/zinc/47/15/42/1066471542.db2.gz QBUNJLBXGWZMAD-OYRHEFFESA-N 2 1 489.108 4.266 20 0 JIADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccc(Cl)c3)n2CC[NH+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC001316503840 1066471553 /nfs/dbraw/zinc/47/15/53/1066471553.db2.gz QBUNJLBXGWZMAD-OYRHEFFESA-N 2 1 489.108 4.266 20 0 JIADMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC001316503840 1066471564 /nfs/dbraw/zinc/47/15/64/1066471564.db2.gz QBUNJLBXGWZMAD-OYRHEFFESA-N 2 1 489.108 4.266 20 0 JIADMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC001316503840 1066471569 /nfs/dbraw/zinc/47/15/69/1066471569.db2.gz QBUNJLBXGWZMAD-OYRHEFFESA-N 2 1 489.108 4.266 20 0 JIADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(C)(C)C)n2C[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C[C@H](C)O1 ZINC001316504045 1066472755 /nfs/dbraw/zinc/47/27/55/1066472755.db2.gz GZUZDLKXDGSBPT-SRUXOGRHSA-N 2 1 488.746 4.266 20 0 JIADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(C(C)(C)C)n2C[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C[C@H](C)O1 ZINC001316504045 1066472763 /nfs/dbraw/zinc/47/27/63/1066472763.db2.gz GZUZDLKXDGSBPT-SRUXOGRHSA-N 2 1 488.746 4.266 20 0 JIADMP C[C@@H]1C[NH+](CCN(C)c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C[C@H](C)O1 ZINC001316504045 1066472770 /nfs/dbraw/zinc/47/27/70/1066472770.db2.gz GZUZDLKXDGSBPT-SRUXOGRHSA-N 2 1 488.746 4.266 20 0 JIADMP C[C@@H]1C[NH+](CCN(C)c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C[C@H](C)O1 ZINC001316504045 1066472776 /nfs/dbraw/zinc/47/27/76/1066472776.db2.gz GZUZDLKXDGSBPT-SRUXOGRHSA-N 2 1 488.746 4.266 20 0 JIADMP C[C@@H]1C[N@H+](CC2CCN(c3nnc(C(C)(C)C)n3CC[NH+](C)C3CCCCC3)CC2)C[C@H](C)O1 ZINC001316504816 1066476415 /nfs/dbraw/zinc/47/64/15/1066476415.db2.gz RHZGJQASMLNOIA-SZPZYZBQSA-N 2 1 474.738 4.166 20 0 JIADMP C[C@@H]1C[NH+](CC2CCN(c3nnc(C(C)(C)C)n3CC[N@H+](C)C3CCCCC3)CC2)C[C@H](C)O1 ZINC001316504816 1066476428 /nfs/dbraw/zinc/47/64/28/1066476428.db2.gz RHZGJQASMLNOIA-SZPZYZBQSA-N 2 1 474.738 4.166 20 0 JIADMP C[C@@H]1C[NH+](CC2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+](C)C3CCCCC3)CC2)C[C@H](C)O1 ZINC001316504816 1066476442 /nfs/dbraw/zinc/47/64/42/1066476442.db2.gz RHZGJQASMLNOIA-SZPZYZBQSA-N 2 1 474.738 4.166 20 0 JIADMP Cc1cccc(-c2nnc(N(C)[C@H]3CCC[NH+](Cc4ccccc4)C3)n2CCC[N@H+](C)C(C)C)n1 ZINC001492497287 1067336454 /nfs/dbraw/zinc/33/64/54/1067336454.db2.gz SFGBFGMXSKNMMI-VWLOTQADSA-N 2 1 475.685 4.480 20 0 JIADMP Cc1cccc(-c2nnc(N(C)[C@H]3CCC[N@H+](Cc4ccccc4)C3)n2CCC[NH+](C)C(C)C)n1 ZINC001492497287 1067336468 /nfs/dbraw/zinc/33/64/68/1067336468.db2.gz SFGBFGMXSKNMMI-VWLOTQADSA-N 2 1 475.685 4.480 20 0 JIADMP Cc1cccc(-c2nnc(N(C)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2CCC[NH+](C)C(C)C)n1 ZINC001492497287 1067336482 /nfs/dbraw/zinc/33/64/82/1067336482.db2.gz SFGBFGMXSKNMMI-VWLOTQADSA-N 2 1 475.685 4.480 20 0 JIADMP Cc1cccc(-c2nnc(N(C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001492497540 1067338655 /nfs/dbraw/zinc/33/86/55/1067338655.db2.gz ZZSCCUXPXSQOGT-ZCYQVOJMSA-N 2 1 475.685 4.478 20 0 JIADMP Cc1cccc(-c2nnc(N(C)[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)n2CC[NH+](C)C(C)C)n1 ZINC001492497540 1067338673 /nfs/dbraw/zinc/33/86/73/1067338673.db2.gz ZZSCCUXPXSQOGT-ZCYQVOJMSA-N 2 1 475.685 4.478 20 0 JIADMP Cc1cccc(-c2nnc(N(C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)n2CC[NH+](C)C(C)C)n1 ZINC001492497540 1067338688 /nfs/dbraw/zinc/33/86/88/1067338688.db2.gz ZZSCCUXPXSQOGT-ZCYQVOJMSA-N 2 1 475.685 4.478 20 0 JIADMP COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC001300074048 1067597719 /nfs/dbraw/zinc/59/77/19/1067597719.db2.gz CRICJSMMLXQXAE-HSZRJFAPSA-N 2 1 468.690 4.386 20 0 JIADMP C[C@H]1C[C@@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001356500726 1067765343 /nfs/dbraw/zinc/76/53/43/1067765343.db2.gz FKQJOJCZOLDALY-LADGPHEKSA-N 2 1 459.638 4.142 20 0 JIADMP COc1ccc(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC001300288619 1068090145 /nfs/dbraw/zinc/09/01/45/1068090145.db2.gz BDBWUEXBORPBDS-QHCPKHFHSA-N 2 1 484.689 4.051 20 0 JIADMP COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCC[NH+]2CCCC[C@@H]2C)cc1 ZINC001300288619 1068090160 /nfs/dbraw/zinc/09/01/60/1068090160.db2.gz BDBWUEXBORPBDS-QHCPKHFHSA-N 2 1 484.689 4.051 20 0 JIADMP COc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCC[NH+]2CCCC[C@@H]2C)cc1 ZINC001300288619 1068090175 /nfs/dbraw/zinc/09/01/75/1068090175.db2.gz BDBWUEXBORPBDS-QHCPKHFHSA-N 2 1 484.689 4.051 20 0 JIADMP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(C4CCCC4)n3CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001300334963 1068304695 /nfs/dbraw/zinc/30/46/95/1068304695.db2.gz LGGWUSMMIYMHOD-OAQYLSRUSA-N 2 1 468.690 4.415 20 0 JIADMP COc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001300389735 1068502073 /nfs/dbraw/zinc/50/20/73/1068502073.db2.gz QBELCAXNAYXRTM-JOCHJYFZSA-N 2 1 468.690 4.244 20 0 JIADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccccc1Cl ZINC000849483159 1069051192 /nfs/dbraw/zinc/05/11/92/1069051192.db2.gz FXHVVGWMEZHJJO-JCTONOIOSA-N 2 1 460.066 4.087 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001300566654 1069058638 /nfs/dbraw/zinc/05/86/38/1069058638.db2.gz DUKFJMKUZONJSP-QHCPKHFHSA-N 2 1 482.717 4.309 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1CCC[NH+](C(C)C)C1 ZINC001300566654 1069058642 /nfs/dbraw/zinc/05/86/42/1069058642.db2.gz DUKFJMKUZONJSP-QHCPKHFHSA-N 2 1 482.717 4.309 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CCC[NH+](C(C)C)C1 ZINC001300566654 1069058646 /nfs/dbraw/zinc/05/86/46/1069058646.db2.gz DUKFJMKUZONJSP-QHCPKHFHSA-N 2 1 482.717 4.309 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[NH+](C(C)C)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001300568576 1069068383 /nfs/dbraw/zinc/06/83/83/1069068383.db2.gz UTCOSZOMFJOWMK-HSZRJFAPSA-N 2 1 468.690 4.063 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCC[NH+]1CCCC[C@H]1C ZINC001300568576 1069068387 /nfs/dbraw/zinc/06/83/87/1069068387.db2.gz UTCOSZOMFJOWMK-HSZRJFAPSA-N 2 1 468.690 4.063 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCC[NH+]1CCCC[C@H]1C ZINC001300568576 1069068390 /nfs/dbraw/zinc/06/83/90/1069068390.db2.gz UTCOSZOMFJOWMK-HSZRJFAPSA-N 2 1 468.690 4.063 20 0 JIADMP COc1ccccc1Cc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC[NH+](C(C)C)C(C)C ZINC001300573103 1069087021 /nfs/dbraw/zinc/08/70/21/1069087021.db2.gz MHKDSUYLLSVSKE-QHCPKHFHSA-N 2 1 482.717 4.307 20 0 JIADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccc(C(F)(F)F)cc1 ZINC000849507852 1069089880 /nfs/dbraw/zinc/08/98/80/1069089880.db2.gz FXIIYNAPGPEWRM-KMDXXIMOSA-N 2 1 493.618 4.452 20 0 JIADMP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)ccc21 ZINC000849518745 1069110082 /nfs/dbraw/zinc/11/00/82/1069110082.db2.gz OXGDTLAQEPEDSY-JWQCQUIFSA-N 2 1 464.658 4.169 20 0 JIADMP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)ccc21 ZINC000849518750 1069110224 /nfs/dbraw/zinc/11/02/24/1069110224.db2.gz OXGDTLAQEPEDSY-RPBOFIJWSA-N 2 1 464.658 4.169 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849525955 1069123090 /nfs/dbraw/zinc/12/30/90/1069123090.db2.gz PUTBDMOEADPDGM-IZLXSDGUSA-N 2 1 479.713 4.085 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001300615738 1069229898 /nfs/dbraw/zinc/22/98/98/1069229898.db2.gz XIKOHMFHHFJLNH-DNQXCXABSA-N 2 1 482.717 4.175 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849607894 1069265294 /nfs/dbraw/zinc/26/52/94/1069265294.db2.gz ZPJYLLSMMADBNB-LOSJGSFVSA-N 2 1 469.699 4.451 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)c2c1C ZINC001164389358 718815463 /nfs/dbraw/zinc/81/54/63/718815463.db2.gz VKPOYJYBTKSLMB-FQEVSTJZSA-N 2 1 453.578 4.415 20 0 JIADMP CCOC(=O)C1CC[NH+](C2CCN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)CC2)CC1 ZINC001164618629 719031849 /nfs/dbraw/zinc/03/18/49/719031849.db2.gz WLEVNIBEYVHRNV-UHFFFAOYSA-N 2 1 485.698 4.148 20 0 JIADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c2c1CC[NH2+]C2 ZINC001164679453 719639547 /nfs/dbraw/zinc/63/95/47/719639547.db2.gz AYTINXRCCNLKMH-UHFFFAOYSA-N 2 1 473.650 4.304 20 0 JIADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c2c1CC[NH2+]C2 ZINC001164679453 719639552 /nfs/dbraw/zinc/63/95/52/719639552.db2.gz AYTINXRCCNLKMH-UHFFFAOYSA-N 2 1 473.650 4.304 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001164690651 719761200 /nfs/dbraw/zinc/76/12/00/719761200.db2.gz GOJKHWXQURHTKP-CJAUYULYSA-N 2 1 484.645 4.343 20 0 JIADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164817789 720168446 /nfs/dbraw/zinc/16/84/46/720168446.db2.gz QFWUGDDCAYONRY-LYZGTLIUSA-N 2 1 495.737 4.351 20 0 JIADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164817789 720168455 /nfs/dbraw/zinc/16/84/55/720168455.db2.gz QFWUGDDCAYONRY-LYZGTLIUSA-N 2 1 495.737 4.351 20 0 JIADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757480 720894569 /nfs/dbraw/zinc/89/45/69/720894569.db2.gz VDASGNZTEFDHRS-LEAFIULHSA-N 2 1 496.099 4.481 20 0 JIADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757480 720894571 /nfs/dbraw/zinc/89/45/71/720894571.db2.gz VDASGNZTEFDHRS-LEAFIULHSA-N 2 1 496.099 4.481 20 0 JIADMP COc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]c2ccccc21 ZINC001164751760 720899321 /nfs/dbraw/zinc/89/93/21/720899321.db2.gz DLHYRYSGXVHRCF-FIPFOOKPSA-N 2 1 458.606 4.394 20 0 JIADMP COc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]c2ccccc21 ZINC001164751760 720899325 /nfs/dbraw/zinc/89/93/25/720899325.db2.gz DLHYRYSGXVHRCF-FIPFOOKPSA-N 2 1 458.606 4.394 20 0 JIADMP COC(=O)C1CCN(c2cc[nH+]c(N3CCC4(CC3)CC[NH+](Cc3ccc(C)cc3)CC4)n2)CC1 ZINC001164760499 721045511 /nfs/dbraw/zinc/04/55/11/721045511.db2.gz VFELBKFAGVVPMB-UHFFFAOYSA-N 2 1 477.653 4.057 20 0 JIADMP O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c21 ZINC001164770257 721295484 /nfs/dbraw/zinc/29/54/84/721295484.db2.gz QNOMSVSFIRAKAQ-UHFFFAOYSA-N 2 1 493.051 4.319 20 0 JIADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCC[NH+](Cc2c(C)noc2C)C3)nc1 ZINC001164780344 721373973 /nfs/dbraw/zinc/37/39/73/721373973.db2.gz GCKBHBVIRRJXGD-XNMGPUDCSA-N 2 1 467.658 4.352 20 0 JIADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164780344 721373976 /nfs/dbraw/zinc/37/39/76/721373976.db2.gz GCKBHBVIRRJXGD-XNMGPUDCSA-N 2 1 467.658 4.352 20 0 JIADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164780344 721373978 /nfs/dbraw/zinc/37/39/78/721373978.db2.gz GCKBHBVIRRJXGD-XNMGPUDCSA-N 2 1 467.658 4.352 20 0 JIADMP COc1cccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001315563771 1064592507 /nfs/dbraw/zinc/59/25/07/1064592507.db2.gz SSOIOKPQSNNMGT-QFIPXVFZSA-N 2 1 466.630 4.160 20 0 JIADMP COc1ccccc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001315606067 1064720930 /nfs/dbraw/zinc/72/09/30/1064720930.db2.gz YCSUVTGLVFIZBH-JOCHJYFZSA-N 2 1 468.690 4.386 20 0 JIADMP COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC001315705264 1064973578 /nfs/dbraw/zinc/97/35/78/1064973578.db2.gz MVORAYWCMUOPKX-HSZRJFAPSA-N 2 1 468.690 4.002 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC[NH+](C)C(C)C)C[C@@H]1C ZINC001316123828 1065791456 /nfs/dbraw/zinc/79/14/56/1065791456.db2.gz KXNXCAILGFVVSS-SFHVURJKSA-N 2 1 491.105 4.310 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC[N@H+](C)C(C)C)C[C@@H]1C ZINC001316123828 1065791472 /nfs/dbraw/zinc/79/14/72/1065791472.db2.gz KXNXCAILGFVVSS-SFHVURJKSA-N 2 1 491.105 4.310 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC[N@@H+](C)C(C)C)C[C@@H]1C ZINC001316123828 1065791484 /nfs/dbraw/zinc/79/14/84/1065791484.db2.gz KXNXCAILGFVVSS-SFHVURJKSA-N 2 1 491.105 4.310 20 0 JIADMP Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC2([NH+](C)C)CCCCC2)n1 ZINC001492516761 1066365512 /nfs/dbraw/zinc/36/55/12/1066365512.db2.gz WFCHDUVGCDSHLD-UHFFFAOYSA-N 2 1 453.679 4.224 20 0 JIADMP Cc1cccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001492547598 1066932190 /nfs/dbraw/zinc/93/21/90/1066932190.db2.gz DKBLZLLGQVVRTN-HSZRJFAPSA-N 2 1 468.690 4.208 20 0 JIADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cccc(Br)c2F)c1)C1CCOCC1 ZINC001200009302 1067354632 /nfs/dbraw/zinc/35/46/32/1067354632.db2.gz BIXQXPYWGVCNSJ-UHFFFAOYSA-N 2 1 451.380 4.368 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2CC[N@@H+](C)C(C)C)cc1OC ZINC001300053332 1067526718 /nfs/dbraw/zinc/52/67/18/1067526718.db2.gz IGSKJJJFLKMNLG-QHCPKHFHSA-N 2 1 498.716 4.251 20 0 JIADMP COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300068169 1067586000 /nfs/dbraw/zinc/58/60/00/1067586000.db2.gz ZWGSKUFMFLTLEK-JOCHJYFZSA-N 2 1 468.690 4.386 20 0 JIADMP COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[N@@H+](C)C2CCCC2)c(OC)c1 ZINC001300075046 1067598982 /nfs/dbraw/zinc/59/89/82/1067598982.db2.gz ALRQORRYYCIAKD-UHFFFAOYSA-N 2 1 498.716 4.395 20 0 JIADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)cc3)cc2)C[C@@H](C)O1 ZINC001357903785 1067935916 /nfs/dbraw/zinc/93/59/16/1067935916.db2.gz ACGAHPHUKRBFMW-NHCUHLMSSA-N 2 1 450.627 4.079 20 0 JIADMP Cc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001492586264 1069000586 /nfs/dbraw/zinc/00/05/86/1069000586.db2.gz BJQCBAVGBDBVLN-HSZRJFAPSA-N 2 1 452.691 4.218 20 0 JIADMP Cc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001492586265 1069000736 /nfs/dbraw/zinc/00/07/36/1069000736.db2.gz BJQCBAVGBDBVLN-QHCPKHFHSA-N 2 1 452.691 4.218 20 0 JIADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000849492996 1069061529 /nfs/dbraw/zinc/06/15/29/1069061529.db2.gz IGARZWUGSJJDDX-VSGBNLITSA-N 2 1 471.649 4.035 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849505288 1069084355 /nfs/dbraw/zinc/08/43/55/1069084355.db2.gz GVWWNDCKRYKVII-SVBPBHIXSA-N 2 1 465.686 4.315 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849505288 1069084365 /nfs/dbraw/zinc/08/43/65/1069084365.db2.gz GVWWNDCKRYKVII-SVBPBHIXSA-N 2 1 465.686 4.315 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849505288 1069084374 /nfs/dbraw/zinc/08/43/74/1069084374.db2.gz GVWWNDCKRYKVII-SVBPBHIXSA-N 2 1 465.686 4.315 20 0 JIADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(C(F)(F)F)cc1 ZINC000849507855 1069089917 /nfs/dbraw/zinc/08/99/17/1069089917.db2.gz FXIIYNAPGPEWRM-RBZQAINGSA-N 2 1 493.618 4.452 20 0 JIADMP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)ccc21 ZINC000849518748 1069109981 /nfs/dbraw/zinc/10/99/81/1069109981.db2.gz OXGDTLAQEPEDSY-LOSJGSFVSA-N 2 1 464.658 4.169 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001300610522 1069216187 /nfs/dbraw/zinc/21/61/87/1069216187.db2.gz PKYJINCIUKBFOQ-QFIPXVFZSA-N 2 1 468.690 4.027 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001300610522 1069216201 /nfs/dbraw/zinc/21/62/01/1069216201.db2.gz PKYJINCIUKBFOQ-QFIPXVFZSA-N 2 1 468.690 4.027 20 0 JIADMP CCC1(CNC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000849570031 1069221277 /nfs/dbraw/zinc/22/12/77/1069221277.db2.gz YONXULCDYHPFSE-FTJBHMTQSA-N 2 1 465.686 4.043 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001300615740 1069229554 /nfs/dbraw/zinc/22/95/54/1069229554.db2.gz XIKOHMFHHFJLNH-ZEQRLZLVSA-N 2 1 482.717 4.175 20 0 JIADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C(C)C)C[C@@H]2c2cnn(C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000849578881 1069230872 /nfs/dbraw/zinc/23/08/72/1069230872.db2.gz YFNPUELZSQXPJN-JMLJLYKJSA-N 2 1 490.067 4.367 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C(C)C)C[C@@H]2c2cnn(C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000849578881 1069230883 /nfs/dbraw/zinc/23/08/83/1069230883.db2.gz YFNPUELZSQXPJN-JMLJLYKJSA-N 2 1 490.067 4.367 20 0 JIADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000849578881 1069230891 /nfs/dbraw/zinc/23/08/91/1069230891.db2.gz YFNPUELZSQXPJN-JMLJLYKJSA-N 2 1 490.067 4.367 20 0 JIADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000849578881 1069230900 /nfs/dbraw/zinc/23/09/00/1069230900.db2.gz YFNPUELZSQXPJN-JMLJLYKJSA-N 2 1 490.067 4.367 20 0 JIADMP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3[nH+]ccc4c5c([nH]c43)CCC5)CC2)c2ccccc21 ZINC001164681953 719683193 /nfs/dbraw/zinc/68/31/93/719683193.db2.gz ASGRORLRIFTRIU-HXUWFJFHSA-N 2 1 471.649 4.145 20 0 JIADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835775 720526328 /nfs/dbraw/zinc/52/63/28/720526328.db2.gz LGZUMXHOTGQIIO-FULLSBAXSA-N 2 1 470.665 4.214 20 0 JIADMP CC(C)[NH+]1[C@@H]2CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835775 720526333 /nfs/dbraw/zinc/52/63/33/720526333.db2.gz LGZUMXHOTGQIIO-FULLSBAXSA-N 2 1 470.665 4.214 20 0 JIADMP CC(C)[NH+]1[C@@H]2CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835775 720526338 /nfs/dbraw/zinc/52/63/38/720526338.db2.gz LGZUMXHOTGQIIO-FULLSBAXSA-N 2 1 470.665 4.214 20 0 JIADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccccc3)CC[C@@H]21 ZINC001164837330 720555305 /nfs/dbraw/zinc/55/53/05/720555305.db2.gz LTBFDOASEUTVAV-LSQMVHIFSA-N 2 1 455.610 4.054 20 0 JIADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccccc3)CC[C@@H]21 ZINC001164837330 720555315 /nfs/dbraw/zinc/55/53/15/720555315.db2.gz LTBFDOASEUTVAV-LSQMVHIFSA-N 2 1 455.610 4.054 20 0 JIADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cnc3c1ccn3C1CCCC1)CC2 ZINC001164789938 721461037 /nfs/dbraw/zinc/46/10/37/721461037.db2.gz YPGUHFOEDDXQLE-QHCPKHFHSA-N 2 1 467.658 4.280 20 0 JIADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cnc3c1ccn3C1CCCC1)CC2 ZINC001164789938 721461038 /nfs/dbraw/zinc/46/10/38/721461038.db2.gz YPGUHFOEDDXQLE-QHCPKHFHSA-N 2 1 467.658 4.280 20 0 JIADMP CC(C)(C)Cc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001359529166 1069819085 /nfs/dbraw/zinc/81/90/85/1069819085.db2.gz KSSBOPWLGUQEJS-UHFFFAOYSA-N 2 1 488.765 4.318 20 0 JIADMP CC(C)(C)Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001359538664 1069834735 /nfs/dbraw/zinc/83/47/35/1069834735.db2.gz ZSWAWPAVHABOHV-UHFFFAOYSA-N 2 1 452.691 4.236 20 0 JIADMP CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CC=CCC2)CC1 ZINC001359547849 1069853822 /nfs/dbraw/zinc/85/38/22/1069853822.db2.gz DXDKGBHVIKCNGT-UHFFFAOYSA-N 2 1 487.490 4.280 20 0 JIADMP CC(C)(C)[NH+]1CCCN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CC=CCC2)CC1 ZINC001359547849 1069853829 /nfs/dbraw/zinc/85/38/29/1069853829.db2.gz DXDKGBHVIKCNGT-UHFFFAOYSA-N 2 1 487.490 4.280 20 0 JIADMP CC(C)(C)[NH+]1CCCN(c2nnc(-c3ccccc3Br)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001359547849 1069853839 /nfs/dbraw/zinc/85/38/39/1069853839.db2.gz DXDKGBHVIKCNGT-UHFFFAOYSA-N 2 1 487.490 4.280 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC[NH+](C)C(C)C)C[C@H]1C ZINC001316123826 1065791361 /nfs/dbraw/zinc/79/13/61/1065791361.db2.gz KXNXCAILGFVVSS-GOSISDBHSA-N 2 1 491.105 4.310 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC[N@H+](C)C(C)C)C[C@H]1C ZINC001316123826 1065791372 /nfs/dbraw/zinc/79/13/72/1065791372.db2.gz KXNXCAILGFVVSS-GOSISDBHSA-N 2 1 491.105 4.310 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC[N@@H+](C)C(C)C)C[C@H]1C ZINC001316123826 1065791389 /nfs/dbraw/zinc/79/13/89/1065791389.db2.gz KXNXCAILGFVVSS-GOSISDBHSA-N 2 1 491.105 4.310 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CCCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001316130454 1065801774 /nfs/dbraw/zinc/80/17/74/1065801774.db2.gz WVBVOBSYDNCBNW-JOCHJYFZSA-N 2 1 489.108 4.268 20 0 JIADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)C[NH+](C)C ZINC001316492705 1066433204 /nfs/dbraw/zinc/43/32/04/1066433204.db2.gz RUOWCVCYKYHMFM-GOSISDBHSA-N 2 1 493.071 4.015 20 0 JIADMP C[C@@H]1C[N@H+](CC2CCN(c3nnc(C(C)(C)C)n3C[C@@H](c3ccsc3)[NH+](C)C)CC2)C[C@H](C)O1 ZINC001316503733 1066472187 /nfs/dbraw/zinc/47/21/87/1066472187.db2.gz DMZWZOUCOYKLKQ-MZKRTTBSSA-N 2 1 488.746 4.266 20 0 JIADMP Cc1ccc(C[NH+]2CCCN(C(=O)NCc3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)CC2)cc1 ZINC001337480250 1066485665 /nfs/dbraw/zinc/48/56/65/1066485665.db2.gz DLRIQHQPIDSKEP-PSWAGMNNSA-N 2 1 464.654 4.022 20 0 JIADMP Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc(C[NH+]4C[C@@H](C)O[C@@H](C)C4)cc3)CC2)cc1 ZINC001337480250 1066485679 /nfs/dbraw/zinc/48/56/79/1066485679.db2.gz DLRIQHQPIDSKEP-PSWAGMNNSA-N 2 1 464.654 4.022 20 0 JIADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(C[NH+]4C[C@@H](C)O[C@@H](C)C4)cc3)CC2)cc1 ZINC001337480250 1066485695 /nfs/dbraw/zinc/48/56/95/1066485695.db2.gz DLRIQHQPIDSKEP-PSWAGMNNSA-N 2 1 464.654 4.022 20 0 JIADMP CCCN(C(=O)NCc1ccccc1N1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001338577085 1066564771 /nfs/dbraw/zinc/56/47/71/1066564771.db2.gz DTWAXZNHXOMGMB-SANMLTNESA-N 2 1 463.670 4.025 20 0 JIADMP Cc1cccc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@H](C)[N@H+]3CCC[C@H](C)C3)CC2)c1 ZINC001492534648 1066581886 /nfs/dbraw/zinc/58/18/86/1066581886.db2.gz JGIKHEYSEYGMMR-ZEQRLZLVSA-N 2 1 452.691 4.228 20 0 JIADMP CC(C)(C)[NH+]1CCN(Cn2nc(C[NH+]3CCCCC3)n(-c3ccc(OC(F)F)cc3)c2=S)CC1 ZINC001317902325 1066771772 /nfs/dbraw/zinc/77/17/72/1066771772.db2.gz QBKKUPUBEUGEML-UHFFFAOYSA-N 2 1 494.656 4.364 20 0 JIADMP Cc1cccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001492546984 1066857283 /nfs/dbraw/zinc/85/72/83/1066857283.db2.gz JYKQIICWWFNZTK-PSWAGMNNSA-N 2 1 468.690 4.064 20 0 JIADMP Cc1cc(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)ccc1N1CC[NH+](C)CC1 ZINC001318404442 1067038523 /nfs/dbraw/zinc/03/85/23/1067038523.db2.gz QNNTWVNCFHGKQY-QFIPXVFZSA-N 2 1 450.627 4.252 20 0 JIADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3CC(C)C)cc2)CC1 ZINC001351894128 1067234933 /nfs/dbraw/zinc/23/49/33/1067234933.db2.gz CLLXRRBISISDGI-XNMGPUDCSA-N 2 1 476.665 4.197 20 0 JIADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3CC(C)C)cc2)CC1 ZINC001351894128 1067234952 /nfs/dbraw/zinc/23/49/52/1067234952.db2.gz CLLXRRBISISDGI-XNMGPUDCSA-N 2 1 476.665 4.197 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001300063911 1067574324 /nfs/dbraw/zinc/57/43/24/1067574324.db2.gz XUIHHQARYKJNGE-QFIPXVFZSA-N 2 1 454.663 4.139 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001300063909 1067574615 /nfs/dbraw/zinc/57/46/15/1067574615.db2.gz XUIHHQARYKJNGE-JOCHJYFZSA-N 2 1 454.663 4.139 20 0 JIADMP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001353094650 1067861079 /nfs/dbraw/zinc/86/10/79/1067861079.db2.gz YZOHMDGNLXMZEP-RRPNLBNLSA-N 2 1 458.606 4.266 20 0 JIADMP Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001492560309 1067948771 /nfs/dbraw/zinc/94/87/71/1067948771.db2.gz VHJWNYAHWCWKDD-UHFFFAOYSA-N 2 1 468.690 4.065 20 0 JIADMP Cc1ccccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001492560309 1067948799 /nfs/dbraw/zinc/94/87/99/1067948799.db2.gz VHJWNYAHWCWKDD-UHFFFAOYSA-N 2 1 468.690 4.065 20 0 JIADMP COc1ccc(Oc2ccc(C[NH2+]Cc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)cc2)cc1 ZINC001200346638 1068166838 /nfs/dbraw/zinc/16/68/38/1068166838.db2.gz PNWQMKHPVVKGHL-DEOSSOPVSA-N 2 1 459.590 4.475 20 0 JIADMP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C(C)C)n3C[C@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001300332653 1068285290 /nfs/dbraw/zinc/28/52/90/1068285290.db2.gz MWTGRESRDBLFEH-GMAHTHKFSA-N 2 1 456.679 4.270 20 0 JIADMP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C(C)C)n3CC(C)(C)[NH+]3CCC(OC)CC3)CC2)c1 ZINC001300333253 1068288607 /nfs/dbraw/zinc/28/86/07/1068288607.db2.gz QTDWCXKRJKJKCK-QFIPXVFZSA-N 2 1 498.716 4.183 20 0 JIADMP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C4CCCC4)n3CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001300334962 1068305001 /nfs/dbraw/zinc/30/50/01/1068305001.db2.gz LGGWUSMMIYMHOD-NRFANRHFSA-N 2 1 468.690 4.415 20 0 JIADMP COc1cccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001300370064 1068418879 /nfs/dbraw/zinc/41/88/79/1068418879.db2.gz STQPWFLUXMLUFY-UHFFFAOYSA-N 2 1 454.663 4.139 20 0 JIADMP COc1ccccc1Cc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCC[NH+](C(C)C)C(C)C ZINC001300548689 1068993468 /nfs/dbraw/zinc/99/34/68/1068993468.db2.gz OBNFWLRODCYOQM-UPVQGACJSA-N 2 1 468.690 4.059 20 0 JIADMP Cc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001492587461 1069025410 /nfs/dbraw/zinc/02/54/10/1069025410.db2.gz QMJAUDHUFGHMQV-UHFFFAOYSA-N 2 1 452.691 4.220 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001300566450 1069057190 /nfs/dbraw/zinc/05/71/90/1069057190.db2.gz BGZWCNBBNOUILM-QHCPKHFHSA-N 2 1 482.717 4.453 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849492114 1069059474 /nfs/dbraw/zinc/05/94/74/1069059474.db2.gz BYHHSUUWHRANPV-WUFINQPMSA-N 2 1 473.665 4.279 20 0 JIADMP COc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001300567575 1069062355 /nfs/dbraw/zinc/06/23/55/1069062355.db2.gz HPQRNRFTZOUKLN-UHFFFAOYSA-N 2 1 468.690 4.063 20 0 JIADMP CCC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2Cl)CC1 ZINC000849505591 1069087146 /nfs/dbraw/zinc/08/71/46/1069087146.db2.gz IIQDYUISKRRMRR-GOTSBHOMSA-N 2 1 487.092 4.058 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518231 1069105047 /nfs/dbraw/zinc/10/50/47/1069105047.db2.gz QKYIWPBVRJVKAI-CLJLJLNGSA-N 2 1 494.684 4.077 20 0 JIADMP CC(C)[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849526336 1069121030 /nfs/dbraw/zinc/12/10/30/1069121030.db2.gz SDXAKISNQVBELQ-VXKWHMMOSA-N 2 1 492.495 4.322 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849526336 1069121041 /nfs/dbraw/zinc/12/10/41/1069121041.db2.gz SDXAKISNQVBELQ-VXKWHMMOSA-N 2 1 492.495 4.322 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001300610369 1069214496 /nfs/dbraw/zinc/21/44/96/1069214496.db2.gz NURLMZUVNYAHFA-JOCHJYFZSA-N 2 1 468.690 4.243 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001300610369 1069214520 /nfs/dbraw/zinc/21/45/20/1069214520.db2.gz NURLMZUVNYAHFA-JOCHJYFZSA-N 2 1 468.690 4.243 20 0 JIADMP CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682951 719629799 /nfs/dbraw/zinc/62/97/99/719629799.db2.gz PZSMQXRTBPHCJN-UHFFFAOYSA-N 2 1 485.991 4.389 20 0 JIADMP CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682951 719629810 /nfs/dbraw/zinc/62/98/10/719629810.db2.gz PZSMQXRTBPHCJN-UHFFFAOYSA-N 2 1 485.991 4.389 20 0 JIADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164817791 720169176 /nfs/dbraw/zinc/16/91/76/720169176.db2.gz QFWUGDDCAYONRY-RBTNQOKQSA-N 2 1 495.737 4.351 20 0 JIADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164817791 720169197 /nfs/dbraw/zinc/16/91/97/720169197.db2.gz QFWUGDDCAYONRY-RBTNQOKQSA-N 2 1 495.737 4.351 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827492 720338992 /nfs/dbraw/zinc/33/89/92/720338992.db2.gz MHIOTEOHDLYQNA-VXKWHMMOSA-N 2 1 498.741 4.061 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164732919 720439656 /nfs/dbraw/zinc/43/96/56/720439656.db2.gz OUUHVCHTBGTWJO-RTWAWAEBSA-N 2 1 450.656 4.398 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164732919 720439660 /nfs/dbraw/zinc/43/96/60/720439660.db2.gz OUUHVCHTBGTWJO-RTWAWAEBSA-N 2 1 450.656 4.398 20 0 JIADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccccc3)CC[C@@H]21 ZINC001164837326 720556416 /nfs/dbraw/zinc/55/64/16/720556416.db2.gz LTBFDOASEUTVAV-CUYJMHBOSA-N 2 1 455.610 4.054 20 0 JIADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccccc3)CC[C@@H]21 ZINC001164837326 720556426 /nfs/dbraw/zinc/55/64/26/720556426.db2.gz LTBFDOASEUTVAV-CUYJMHBOSA-N 2 1 455.610 4.054 20 0 JIADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@@H]21 ZINC001164837039 720652417 /nfs/dbraw/zinc/65/24/17/720652417.db2.gz AXJTVVFMRFZHSI-RRPUWOKSSA-N 2 1 491.030 4.231 20 0 JIADMP COc1ccc2c(cc[nH+]c2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164752968 720879456 /nfs/dbraw/zinc/87/94/56/720879456.db2.gz OADBZNDJSBWVFB-CUBQBAPOSA-N 2 1 458.606 4.394 20 0 JIADMP COc1ccc2c(cc[nH+]c2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164752968 720879458 /nfs/dbraw/zinc/87/94/58/720879458.db2.gz OADBZNDJSBWVFB-CUBQBAPOSA-N 2 1 458.606 4.394 20 0 JIADMP COc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]c2ccccc21 ZINC001164751767 720899261 /nfs/dbraw/zinc/89/92/61/720899261.db2.gz DLHYRYSGXVHRCF-QDPGVEIFSA-N 2 1 458.606 4.394 20 0 JIADMP COc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]c2ccccc21 ZINC001164751767 720899262 /nfs/dbraw/zinc/89/92/62/720899262.db2.gz DLHYRYSGXVHRCF-QDPGVEIFSA-N 2 1 458.606 4.394 20 0 JIADMP COc1ccc(CN(C)c2cc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)n2)cc1 ZINC001165027058 721829156 /nfs/dbraw/zinc/82/91/56/721829156.db2.gz RKIWSAAQBBIZJI-UCGXPXSYSA-N 2 1 472.637 4.254 20 0 JIADMP COc1ccc(CN(C)c2cc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)n2)cc1 ZINC001165027058 721829157 /nfs/dbraw/zinc/82/91/57/721829157.db2.gz RKIWSAAQBBIZJI-UCGXPXSYSA-N 2 1 472.637 4.254 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001300653682 1069343571 /nfs/dbraw/zinc/34/35/71/1069343571.db2.gz YLGJCRSROIHHTM-QHCPKHFHSA-N 2 1 484.689 4.051 20 0 JIADMP CC(C)(C)CC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001359547126 1069851550 /nfs/dbraw/zinc/85/15/50/1069851550.db2.gz CHAUWBHYRZIOAX-UHFFFAOYSA-N 2 1 464.702 4.274 20 0 JIADMP CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCCC2)CC1 ZINC001359548169 1069854805 /nfs/dbraw/zinc/85/48/05/1069854805.db2.gz QJOJOPGRPKMSTN-UHFFFAOYSA-N 2 1 481.508 4.176 20 0 JIADMP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCC[C@H](C)C3)CC2)c1 ZINC001315545277 1064550044 /nfs/dbraw/zinc/55/00/44/1064550044.db2.gz MUAQXNIGXOLOIU-GOTSBHOMSA-N 2 1 482.717 4.490 20 0 JIADMP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCC[C@H](C)C3)CC2)c1 ZINC001315545277 1064550055 /nfs/dbraw/zinc/55/00/55/1064550055.db2.gz MUAQXNIGXOLOIU-GOTSBHOMSA-N 2 1 482.717 4.490 20 0 JIADMP COc1ccccc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001315599288 1064704220 /nfs/dbraw/zinc/70/42/20/1064704220.db2.gz GQGAMRKYEUAQTC-QHCPKHFHSA-N 2 1 454.663 4.041 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001315624205 1064763738 /nfs/dbraw/zinc/76/37/38/1064763738.db2.gz FPCWCYRHIJMSDZ-UHFFFAOYSA-N 2 1 482.717 4.310 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001315625380 1064766498 /nfs/dbraw/zinc/76/64/98/1064766498.db2.gz RBIIGHDHWOVQLG-UHFFFAOYSA-N 2 1 468.690 4.064 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001316125900 1065797697 /nfs/dbraw/zinc/79/76/97/1065797697.db2.gz WPECRHSKWCIQMK-JOCHJYFZSA-N 2 1 489.108 4.268 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001316129770 1065801702 /nfs/dbraw/zinc/80/17/02/1065801702.db2.gz RQTPPZABSIBMFE-ARNLJNQMSA-N 2 1 482.717 4.169 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001316129770 1065801707 /nfs/dbraw/zinc/80/17/07/1065801707.db2.gz RQTPPZABSIBMFE-ARNLJNQMSA-N 2 1 482.717 4.169 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001316129770 1065801708 /nfs/dbraw/zinc/80/17/08/1065801708.db2.gz RQTPPZABSIBMFE-ARNLJNQMSA-N 2 1 482.717 4.169 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001316129780 1065801732 /nfs/dbraw/zinc/80/17/32/1065801732.db2.gz RQTPPZABSIBMFE-VDKIKQQVSA-N 2 1 482.717 4.169 20 0 JIADMP CSC1(Cn2c(CC(C)C)nnc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH+](C)CC1 ZINC001316408364 1066192187 /nfs/dbraw/zinc/19/21/87/1066192187.db2.gz XOHMHGXBTIANCX-QFIPXVFZSA-N 2 1 470.731 4.015 20 0 JIADMP Cc1cccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001492546530 1066828212 /nfs/dbraw/zinc/82/82/12/1066828212.db2.gz XROOQGAJDCMNBT-QHCPKHFHSA-N 2 1 482.698 4.450 20 0 JIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)o1 ZINC001321653467 1067190708 /nfs/dbraw/zinc/19/07/08/1067190708.db2.gz KYBBMTUCFZPPGJ-UHFFFAOYSA-N 2 1 455.606 4.478 20 0 JIADMP CC(C)c1ccc([C@@H](CNC(=O)COC2CC[NH+](C)CC2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001355413355 1067456240 /nfs/dbraw/zinc/45/62/40/1067456240.db2.gz RZUQVGOUAXXSFC-XMMPIXPASA-N 2 1 455.668 4.198 20 0 JIADMP CC(C)c1ccc([C@@H](CNC(=O)COC2CC[NH+](C)CC2)[N@H+]2CCc3sccc3C2)cc1 ZINC001355413355 1067456256 /nfs/dbraw/zinc/45/62/56/1067456256.db2.gz RZUQVGOUAXXSFC-XMMPIXPASA-N 2 1 455.668 4.198 20 0 JIADMP COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC001300074049 1067597512 /nfs/dbraw/zinc/59/75/12/1067597512.db2.gz CRICJSMMLXQXAE-QHCPKHFHSA-N 2 1 468.690 4.386 20 0 JIADMP C[C@H](c1ccc(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1)[NH+]1CCOCC1 ZINC001200121681 1067682575 /nfs/dbraw/zinc/68/25/75/1067682575.db2.gz LMXGLUNYHLFNEY-JOCHJYFZSA-N 2 1 450.627 4.456 20 0 JIADMP C[C@H](c1ccc(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1)[NH+]1CCOCC1 ZINC001200121681 1067682585 /nfs/dbraw/zinc/68/25/85/1067682585.db2.gz LMXGLUNYHLFNEY-JOCHJYFZSA-N 2 1 450.627 4.456 20 0 JIADMP Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001492560127 1067887905 /nfs/dbraw/zinc/88/79/05/1067887905.db2.gz SBQZVLNWJPAATK-HSZRJFAPSA-N 2 1 482.698 4.165 20 0 JIADMP Cc1ccccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001492560127 1067887906 /nfs/dbraw/zinc/88/79/06/1067887906.db2.gz SBQZVLNWJPAATK-HSZRJFAPSA-N 2 1 482.698 4.165 20 0 JIADMP COc1cccc([C@@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)[NH+](C)C)c1 ZINC001300342325 1068331303 /nfs/dbraw/zinc/33/13/03/1068331303.db2.gz WEIUPJOXSRTBDO-FTJBHMTQSA-N 2 1 498.716 4.388 20 0 JIADMP COc1cccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)[NH+](C)C)c1 ZINC001300342327 1068331865 /nfs/dbraw/zinc/33/18/65/1068331865.db2.gz WEIUPJOXSRTBDO-UIOOFZCWSA-N 2 1 498.716 4.388 20 0 JIADMP COc1cccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)c1 ZINC001300353514 1068369317 /nfs/dbraw/zinc/36/93/17/1068369317.db2.gz QUUWGKYTPMYGBV-ZLNRFVROSA-N 2 1 498.716 4.010 20 0 JIADMP COc1cccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)c1 ZINC001300353514 1068369335 /nfs/dbraw/zinc/36/93/35/1068369335.db2.gz QUUWGKYTPMYGBV-ZLNRFVROSA-N 2 1 498.716 4.010 20 0 JIADMP COc1cccc(-c2nnc(N(C)CC[NH+]3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001300353514 1068369348 /nfs/dbraw/zinc/36/93/48/1068369348.db2.gz QUUWGKYTPMYGBV-ZLNRFVROSA-N 2 1 498.716 4.010 20 0 JIADMP COc1cccc(-c2nnc(N(C)CC[NH+]3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001300353514 1068369359 /nfs/dbraw/zinc/36/93/59/1068369359.db2.gz QUUWGKYTPMYGBV-ZLNRFVROSA-N 2 1 498.716 4.010 20 0 JIADMP COc1ccccc1-c1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001300485649 1068845082 /nfs/dbraw/zinc/84/50/82/1068845082.db2.gz IRMSSXUNCJJLEF-QFIPXVFZSA-N 2 1 468.690 4.242 20 0 JIADMP COc1ccccc1-c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CC[NH+]1CCC[C@H](C)C1 ZINC001300485649 1068845085 /nfs/dbraw/zinc/84/50/85/1068845085.db2.gz IRMSSXUNCJJLEF-QFIPXVFZSA-N 2 1 468.690 4.242 20 0 JIADMP COc1ccccc1-c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CC[NH+]1CCC[C@H](C)C1 ZINC001300485649 1068845090 /nfs/dbraw/zinc/84/50/90/1068845090.db2.gz IRMSSXUNCJJLEF-QFIPXVFZSA-N 2 1 468.690 4.242 20 0 JIADMP Cc1ccccc1-c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001492569960 1069012410 /nfs/dbraw/zinc/01/24/10/1069012410.db2.gz MVBRCNXYFAIWJT-UODIDJSMSA-N 2 1 495.760 4.225 20 0 JIADMP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849482607 1069051997 /nfs/dbraw/zinc/05/19/97/1069051997.db2.gz RWYAJEVUZJTIKJ-WUFINQPMSA-N 2 1 485.676 4.168 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849482607 1069051999 /nfs/dbraw/zinc/05/19/99/1069051999.db2.gz RWYAJEVUZJTIKJ-WUFINQPMSA-N 2 1 485.676 4.168 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001300566449 1069057200 /nfs/dbraw/zinc/05/72/00/1069057200.db2.gz BGZWCNBBNOUILM-HSZRJFAPSA-N 2 1 482.717 4.453 20 0 JIADMP COc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001300573184 1069087078 /nfs/dbraw/zinc/08/70/78/1069087078.db2.gz DNTTVWQJTLKARA-HSZRJFAPSA-N 2 1 482.717 4.168 20 0 JIADMP CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000849512894 1069097330 /nfs/dbraw/zinc/09/73/30/1069097330.db2.gz MQLFOSGSFIKCKW-HFMPRLQTSA-N 2 1 494.511 4.377 20 0 JIADMP CC(C)[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849526337 1069121322 /nfs/dbraw/zinc/12/13/22/1069121322.db2.gz SDXAKISNQVBELQ-YADHBBJMSA-N 2 1 492.495 4.322 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849526337 1069121332 /nfs/dbraw/zinc/12/13/32/1069121332.db2.gz SDXAKISNQVBELQ-YADHBBJMSA-N 2 1 492.495 4.322 20 0 JIADMP Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001354366267 1069142931 /nfs/dbraw/zinc/14/29/31/1069142931.db2.gz BVAWJYMZSCXFJA-PHIRODEFSA-N 2 1 463.666 4.215 20 0 JIADMP Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001354366267 1069142938 /nfs/dbraw/zinc/14/29/38/1069142938.db2.gz BVAWJYMZSCXFJA-PHIRODEFSA-N 2 1 463.666 4.215 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)N(CC[NH+](C)Cc2ccccc2)Cc2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849559659 1069208694 /nfs/dbraw/zinc/20/86/94/1069208694.db2.gz VRRNFQOSAMWCDP-URLMMPGGSA-N 2 1 487.692 4.395 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849559659 1069208709 /nfs/dbraw/zinc/20/87/09/1069208709.db2.gz VRRNFQOSAMWCDP-URLMMPGGSA-N 2 1 487.692 4.395 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)N(CC[N@@H+](C)Cc2ccccc2)Cc2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849559659 1069208732 /nfs/dbraw/zinc/20/87/32/1069208732.db2.gz VRRNFQOSAMWCDP-URLMMPGGSA-N 2 1 487.692 4.395 20 0 JIADMP CCC1(CNC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000849570035 1069221326 /nfs/dbraw/zinc/22/13/26/1069221326.db2.gz YONXULCDYHPFSE-UIOOFZCWSA-N 2 1 465.686 4.043 20 0 JIADMP CC(C)[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849575268 1069227330 /nfs/dbraw/zinc/22/73/30/1069227330.db2.gz ZSSXPULVUOIZDH-BJKOFHAPSA-N 2 1 492.495 4.322 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849575268 1069227334 /nfs/dbraw/zinc/22/73/34/1069227334.db2.gz ZSSXPULVUOIZDH-BJKOFHAPSA-N 2 1 492.495 4.322 20 0 JIADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164613969 719017341 /nfs/dbraw/zinc/01/73/41/719017341.db2.gz AUOPVEVOCXJYHI-HJNYFJLDSA-N 2 1 491.661 4.074 20 0 JIADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164815647 720170409 /nfs/dbraw/zinc/17/04/09/720170409.db2.gz ISDFARGWWSPNBS-KMRXNPHXSA-N 2 1 495.737 4.351 20 0 JIADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164815647 720170416 /nfs/dbraw/zinc/17/04/16/720170416.db2.gz ISDFARGWWSPNBS-KMRXNPHXSA-N 2 1 495.737 4.351 20 0 JIADMP COc1cc2cc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2cc1OC ZINC001164904785 721708096 /nfs/dbraw/zinc/70/80/96/721708096.db2.gz DCQDWFXVDSYHRN-DEOSSOPVSA-N 2 1 454.521 4.385 20 0 JIADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)C[C@H]21 ZINC001165018945 721809621 /nfs/dbraw/zinc/80/96/21/721809621.db2.gz BBYBSCRMWIDJSA-KODFZCBSSA-N 2 1 468.649 4.167 20 0 JIADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)C[C@H]21 ZINC001165018945 721809622 /nfs/dbraw/zinc/80/96/22/721809622.db2.gz BBYBSCRMWIDJSA-KODFZCBSSA-N 2 1 468.649 4.167 20 0 JIADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001165018945 721809624 /nfs/dbraw/zinc/80/96/24/721809624.db2.gz BBYBSCRMWIDJSA-KODFZCBSSA-N 2 1 468.649 4.167 20 0 JIADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001165018945 721809625 /nfs/dbraw/zinc/80/96/25/721809625.db2.gz BBYBSCRMWIDJSA-KODFZCBSSA-N 2 1 468.649 4.167 20 0 JIADMP COc1ccc(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001315531385 1064516327 /nfs/dbraw/zinc/51/63/27/1064516327.db2.gz XJPAARSDSNGUFT-DEOSSOPVSA-N 2 1 498.716 4.154 20 0 JIADMP COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H]2CCC[NH+](CC(C)C)C2)cc1 ZINC001315531385 1064516342 /nfs/dbraw/zinc/51/63/42/1064516342.db2.gz XJPAARSDSNGUFT-DEOSSOPVSA-N 2 1 498.716 4.154 20 0 JIADMP COc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H]2CCC[NH+](CC(C)C)C2)cc1 ZINC001315531385 1064516353 /nfs/dbraw/zinc/51/63/53/1064516353.db2.gz XJPAARSDSNGUFT-DEOSSOPVSA-N 2 1 498.716 4.154 20 0 JIADMP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C(C)(C)C)n3CC[NH+]3CCC(C)CC3)CC2)c1 ZINC001315546496 1064553781 /nfs/dbraw/zinc/55/37/81/1064553781.db2.gz VSPOVUMVARFDPD-QFIPXVFZSA-N 2 1 468.690 4.199 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001315625387 1064766570 /nfs/dbraw/zinc/76/65/70/1064766570.db2.gz RTPVORFDYXXEDS-UHFFFAOYSA-N 2 1 482.717 4.453 20 0 JIADMP COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC001315705265 1064974358 /nfs/dbraw/zinc/97/43/58/1064974358.db2.gz MVORAYWCMUOPKX-QHCPKHFHSA-N 2 1 468.690 4.002 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001316125691 1065796291 /nfs/dbraw/zinc/79/62/91/1065796291.db2.gz NMVALRFKGPDFCG-HSZRJFAPSA-N 2 1 482.717 4.276 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001316126070 1065798023 /nfs/dbraw/zinc/79/80/23/1065798023.db2.gz XAORTYORPXRBLB-HXUWFJFHSA-N 2 1 475.081 4.020 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001316126070 1065798036 /nfs/dbraw/zinc/79/80/36/1065798036.db2.gz XAORTYORPXRBLB-HXUWFJFHSA-N 2 1 475.081 4.020 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001316126070 1065798046 /nfs/dbraw/zinc/79/80/46/1065798046.db2.gz XAORTYORPXRBLB-HXUWFJFHSA-N 2 1 475.081 4.020 20 0 JIADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(C)(C)C)n2C[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C[C@H](C)O1 ZINC001316504043 1066473236 /nfs/dbraw/zinc/47/32/36/1066473236.db2.gz GZUZDLKXDGSBPT-KGSLCBSSSA-N 2 1 488.746 4.266 20 0 JIADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(C(C)(C)C)n2C[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C[C@H](C)O1 ZINC001316504043 1066473251 /nfs/dbraw/zinc/47/32/51/1066473251.db2.gz GZUZDLKXDGSBPT-KGSLCBSSSA-N 2 1 488.746 4.266 20 0 JIADMP C[C@@H]1C[NH+](CCN(C)c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C[C@H](C)O1 ZINC001316504043 1066473267 /nfs/dbraw/zinc/47/32/67/1066473267.db2.gz GZUZDLKXDGSBPT-KGSLCBSSSA-N 2 1 488.746 4.266 20 0 JIADMP C[C@@H]1C[NH+](CCN(C)c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C[C@H](C)O1 ZINC001316504043 1066473278 /nfs/dbraw/zinc/47/32/78/1066473278.db2.gz GZUZDLKXDGSBPT-KGSLCBSSSA-N 2 1 488.746 4.266 20 0 JIADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)CC2)cc1 ZINC001337480252 1066485444 /nfs/dbraw/zinc/48/54/44/1066485444.db2.gz DLRIQHQPIDSKEP-ZEQRLZLVSA-N 2 1 464.654 4.022 20 0 JIADMP COc1ccc(-c2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2CC[NH+](C(C)C)C(C)C)cc1OC ZINC001300071663 1067594137 /nfs/dbraw/zinc/59/41/37/1067594137.db2.gz VTMKXPGGCSANQN-JOCHJYFZSA-N 2 1 498.716 4.392 20 0 JIADMP COc1ccc(CCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001300119506 1067734207 /nfs/dbraw/zinc/73/42/07/1067734207.db2.gz GTABWBFATQMNEI-UHFFFAOYSA-N 2 1 482.717 4.161 20 0 JIADMP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(CC(C)C)n3CC[NH+]3CCC(C)CC3)CC2)c1 ZINC001300335212 1068305469 /nfs/dbraw/zinc/30/54/69/1068305469.db2.gz OCQQAEAMSFZLIH-HSZRJFAPSA-N 2 1 468.690 4.100 20 0 JIADMP Cc1ccccc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001492567296 1068832259 /nfs/dbraw/zinc/83/22/59/1068832259.db2.gz BRCLFXSQKMVBQU-VWLOTQADSA-N 2 1 456.704 4.001 20 0 JIADMP COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001300509999 1068885802 /nfs/dbraw/zinc/88/58/02/1068885802.db2.gz BFVBOEUHACADHV-QFIPXVFZSA-N 2 1 468.690 4.242 20 0 JIADMP CC(C)Cn1cc([C@@H]2[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CC23CCOCC3)cn1 ZINC000849477625 1069046834 /nfs/dbraw/zinc/04/68/34/1069046834.db2.gz AEOXPXBBYFEMSY-SANMLTNESA-N 2 1 452.643 4.367 20 0 JIADMP CC(C)Cn1cc([C@@H]2[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CC23CCOCC3)cn1 ZINC000849477625 1069046857 /nfs/dbraw/zinc/04/68/57/1069046857.db2.gz AEOXPXBBYFEMSY-SANMLTNESA-N 2 1 452.643 4.367 20 0 JIADMP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H](c2ccccc2)[NH+]2CCc3sccc3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849500390 1069071319 /nfs/dbraw/zinc/07/13/19/1069071319.db2.gz HSYBYZRNIBKPQQ-NXCFDTQHSA-N 2 1 491.705 4.211 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H](c2ccccc2)[NH+]2CCc3sccc3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849500390 1069071327 /nfs/dbraw/zinc/07/13/27/1069071327.db2.gz HSYBYZRNIBKPQQ-NXCFDTQHSA-N 2 1 491.705 4.211 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849500390 1069071332 /nfs/dbraw/zinc/07/13/32/1069071332.db2.gz HSYBYZRNIBKPQQ-NXCFDTQHSA-N 2 1 491.705 4.211 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849500390 1069071338 /nfs/dbraw/zinc/07/13/38/1069071338.db2.gz HSYBYZRNIBKPQQ-NXCFDTQHSA-N 2 1 491.705 4.211 20 0 JIADMP CCC1(CNC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000849570028 1069221207 /nfs/dbraw/zinc/22/12/07/1069221207.db2.gz YONXULCDYHPFSE-CLJLJLNGSA-N 2 1 465.686 4.043 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001300615312 1069228541 /nfs/dbraw/zinc/22/85/41/1069228541.db2.gz QXANMPXUDHPGAF-XMMPIXPASA-N 2 1 482.717 4.175 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001300615312 1069228551 /nfs/dbraw/zinc/22/85/51/1069228551.db2.gz QXANMPXUDHPGAF-XMMPIXPASA-N 2 1 482.717 4.175 20 0 JIADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000849592014 1069244782 /nfs/dbraw/zinc/24/47/82/1069244782.db2.gz MFYKIAIHGALLCX-WXFUMESZSA-N 2 1 460.066 4.087 20 0 JIADMP CCC[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000849592014 1069244797 /nfs/dbraw/zinc/24/47/97/1069244797.db2.gz MFYKIAIHGALLCX-WXFUMESZSA-N 2 1 460.066 4.087 20 0 JIADMP CCC[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000849592014 1069244810 /nfs/dbraw/zinc/24/48/10/1069244810.db2.gz MFYKIAIHGALLCX-WXFUMESZSA-N 2 1 460.066 4.087 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nc3ccc(C[NH+](C)C4CC4)cc3s2)[C@@H](c2cnn(C)c2)C1 ZINC000849607969 1069265482 /nfs/dbraw/zinc/26/54/82/1069265482.db2.gz MMIJODCPOVMAJP-NHCUHLMSSA-N 2 1 466.655 4.077 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)Nc2nc3ccc(C[N@H+](C)C4CC4)cc3s2)[C@@H](c2cnn(C)c2)C1 ZINC000849607969 1069265502 /nfs/dbraw/zinc/26/55/02/1069265502.db2.gz MMIJODCPOVMAJP-NHCUHLMSSA-N 2 1 466.655 4.077 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)[C@@H](c2cnn(C)c2)C1 ZINC000849607969 1069265516 /nfs/dbraw/zinc/26/55/16/1069265516.db2.gz MMIJODCPOVMAJP-NHCUHLMSSA-N 2 1 466.655 4.077 20 0 JIADMP COc1cccc(-c2cc(C(F)(F)n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c(Cl)nn2)c1 ZINC001164679945 719653309 /nfs/dbraw/zinc/65/33/09/719653309.db2.gz BCRFKVJFPUKFSZ-UHFFFAOYSA-N 2 1 476.959 4.086 20 0 JIADMP COc1cccc(-c2cc(C(F)(F)n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c(Cl)nn2)c1 ZINC001164679945 719653318 /nfs/dbraw/zinc/65/33/18/719653318.db2.gz BCRFKVJFPUKFSZ-UHFFFAOYSA-N 2 1 476.959 4.086 20 0 JIADMP COc1ccccc1-c1cc(C(F)(F)n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c(Cl)nn1 ZINC001164681444 719654568 /nfs/dbraw/zinc/65/45/68/719654568.db2.gz PDDKXAZZHWUHLO-UHFFFAOYSA-N 2 1 476.959 4.086 20 0 JIADMP COc1ccccc1-c1cc(C(F)(F)n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c(Cl)nn1 ZINC001164681444 719654572 /nfs/dbraw/zinc/65/45/72/719654572.db2.gz PDDKXAZZHWUHLO-UHFFFAOYSA-N 2 1 476.959 4.086 20 0 JIADMP CC(C)[N@H+]1[C@@H]2CCN(c3[nH+]cnc4c3ccn4Cc3ccccc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837328 720556172 /nfs/dbraw/zinc/55/61/72/720556172.db2.gz LTBFDOASEUTVAV-GIFXNVAJSA-N 2 1 455.610 4.054 20 0 JIADMP CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+]cnc4c3ccn4Cc3ccccc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837328 720556182 /nfs/dbraw/zinc/55/61/82/720556182.db2.gz LTBFDOASEUTVAV-GIFXNVAJSA-N 2 1 455.610 4.054 20 0 JIADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1[nH+]cnc3c1ccn3COC(=O)C(C)(C)C)CC2 ZINC001164842704 720692140 /nfs/dbraw/zinc/69/21/40/720692140.db2.gz MUTWIBNZFNJYQY-QFIPXVFZSA-N 2 1 491.636 4.238 20 0 JIADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1[nH+]cnc3c1ccn3COC(=O)C(C)(C)C)CC2 ZINC001164842704 720692147 /nfs/dbraw/zinc/69/21/47/720692147.db2.gz MUTWIBNZFNJYQY-QFIPXVFZSA-N 2 1 491.636 4.238 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(c3ccc(C)nn3)[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)c2c1C ZINC001164964609 722025277 /nfs/dbraw/zinc/02/52/77/722025277.db2.gz WYUDUTGZRQPALA-FQRUVTKNSA-N 2 1 493.681 4.052 20 0 JIADMP COc1cccc([C@H](C)[NH+]2CCN(c3nnc([C@@H]4CCCCO4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001315544250 1064546517 /nfs/dbraw/zinc/54/65/17/1064546517.db2.gz BTHLDAFZJHSMST-GVUKDKGQSA-N 2 1 498.716 4.388 20 0 JIADMP COc1cccc([C@@H](Cn2c(-c3cccnc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)[NH+](C)C)c1 ZINC001315545409 1064550897 /nfs/dbraw/zinc/55/08/97/1064550897.db2.gz ASPFKFWGWOVLOA-AREMUKBSSA-N 2 1 491.684 4.208 20 0 JIADMP COCC[N@@H+](C)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001316070175 1065709869 /nfs/dbraw/zinc/70/98/69/1065709869.db2.gz QFHSTISYRHHAFB-UHFFFAOYSA-N 2 1 491.105 4.312 20 0 JIADMP CSC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[N@H+](C(C)C)CC2)CC[NH+](C)CC1 ZINC001316403337 1066183902 /nfs/dbraw/zinc/18/39/02/1066183902.db2.gz SHLVATDQYFXVJS-UHFFFAOYSA-N 2 1 495.112 4.486 20 0 JIADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)C[NH+]2CCCC2)C[C@H](C)O1 ZINC001316503318 1066468413 /nfs/dbraw/zinc/46/84/13/1066468413.db2.gz JPQSQUAMNBLIOO-OYRHEFFESA-N 2 1 489.108 4.266 20 0 JIADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)C[NH+]2CCCC2)C[C@H](C)O1 ZINC001316503318 1066468424 /nfs/dbraw/zinc/46/84/24/1066468424.db2.gz JPQSQUAMNBLIOO-OYRHEFFESA-N 2 1 489.108 4.266 20 0 JIADMP Cc1cccc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC001492534646 1066581689 /nfs/dbraw/zinc/58/16/89/1066581689.db2.gz JGIKHEYSEYGMMR-DNQXCXABSA-N 2 1 452.691 4.228 20 0 JIADMP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(C)c2)c1 ZINC001350502945 1066965811 /nfs/dbraw/zinc/96/58/11/1066965811.db2.gz ZWJMNYZEWNLWJE-RUZDIDTESA-N 2 1 450.627 4.060 20 0 JIADMP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)c1 ZINC001350502947 1066966038 /nfs/dbraw/zinc/96/60/38/1066966038.db2.gz ZWJMNYZEWNLWJE-VWLOTQADSA-N 2 1 450.627 4.060 20 0 JIADMP Cc1ccccc1Cc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCC[NH+](C(C)C)C(C)C ZINC001492580320 1067324610 /nfs/dbraw/zinc/32/46/10/1067324610.db2.gz ARXOXEKVHDNOHE-NOZRDPDXSA-N 2 1 452.691 4.359 20 0 JIADMP COc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CCC[NH+](C(C)C)C(C)C)cc1 ZINC001300026545 1067398385 /nfs/dbraw/zinc/39/83/85/1067398385.db2.gz BRWSJNGMZPUVKB-FYYLOGMGSA-N 2 1 454.663 4.136 20 0 JIADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cccc(Br)c2SC(C)(C)C)CC1 ZINC001200089089 1067585845 /nfs/dbraw/zinc/58/58/45/1067585845.db2.gz RCUYNIXVFZVGRU-UHFFFAOYSA-N 2 1 456.494 4.372 20 0 JIADMP CC[NH+](CC)CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1C)c1cccc(Br)c1 ZINC001358457795 1068095706 /nfs/dbraw/zinc/09/57/06/1068095706.db2.gz ZKVJWWBIYFWCCA-UHFFFAOYSA-N 2 1 456.388 4.327 20 0 JIADMP C[N@H+](Cc1ccccc1NC(=S)NCC[NH+]1CCCCC1)C[C@@H](O)c1ccc(Cl)cc1 ZINC001200434459 1068535674 /nfs/dbraw/zinc/53/56/74/1068535674.db2.gz VGICCGOWICEXNC-HSZRJFAPSA-N 2 1 461.075 4.278 20 0 JIADMP COc1ccccc1-c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCC[NH+]1CCCCC1 ZINC001300486435 1068847403 /nfs/dbraw/zinc/84/74/03/1068847403.db2.gz XUMKZZAZSOGEJS-UHFFFAOYSA-N 2 1 468.690 4.386 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518232 1069104832 /nfs/dbraw/zinc/10/48/32/1069104832.db2.gz QKYIWPBVRJVKAI-FTJBHMTQSA-N 2 1 494.684 4.077 20 0 JIADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)cn1 ZINC000849518900 1069108870 /nfs/dbraw/zinc/10/88/70/1069108870.db2.gz SUSFGKFHSIOXMJ-SVBPBHIXSA-N 2 1 473.665 4.025 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849525962 1069123486 /nfs/dbraw/zinc/12/34/86/1069123486.db2.gz PUTBDMOEADPDGM-WUFINQPMSA-N 2 1 479.713 4.085 20 0 JIADMP Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001354366264 1069143074 /nfs/dbraw/zinc/14/30/74/1069143074.db2.gz BVAWJYMZSCXFJA-JUIYCPNDSA-N 2 1 463.666 4.215 20 0 JIADMP Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001354366264 1069143090 /nfs/dbraw/zinc/14/30/90/1069143090.db2.gz BVAWJYMZSCXFJA-JUIYCPNDSA-N 2 1 463.666 4.215 20 0 JIADMP CC(C)[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849575270 1069227066 /nfs/dbraw/zinc/22/70/66/1069227066.db2.gz ZSSXPULVUOIZDH-DNQXCXABSA-N 2 1 492.495 4.322 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849575270 1069227076 /nfs/dbraw/zinc/22/70/76/1069227076.db2.gz ZSSXPULVUOIZDH-DNQXCXABSA-N 2 1 492.495 4.322 20 0 JIADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)n2)CC1 ZINC001164389740 718824892 /nfs/dbraw/zinc/82/48/92/718824892.db2.gz JMSUUBQWZZWJEW-OALUTQOASA-N 2 1 469.680 4.219 20 0 JIADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1nc(C[NH+](CC)CC)nc3sc(C)c(C)c31)C2 ZINC001164619342 719010633 /nfs/dbraw/zinc/01/06/33/719010633.db2.gz VSUXAWLOHBIMFO-HRFSGMKKSA-N 2 1 499.725 4.299 20 0 JIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C4(CC[C@]3(C(=O)OCC)C2)CC[NH2+]CC4)nc1 ZINC001164616559 719011237 /nfs/dbraw/zinc/01/12/37/719011237.db2.gz LBFVMAYTMHEBEK-NOTUOJBMSA-N 2 1 454.659 4.168 20 0 JIADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@H](CF)[C@H](C5([NH3+])CC5)C4)c32)C1 ZINC001164625959 719122752 /nfs/dbraw/zinc/12/27/52/719122752.db2.gz ZSDBXKCCCMKPLH-ZIFCJYIRSA-N 2 1 457.663 4.315 20 0 JIADMP CC(C)C[NH+]1CCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3=O)CC1 ZINC001164657384 719336804 /nfs/dbraw/zinc/33/68/04/719336804.db2.gz JSEGCMFWNQWRII-UHFFFAOYSA-N 2 1 469.029 4.175 20 0 JIADMP COc1ccc(-c2nc3ccc(F)cc3c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)n2)cc1 ZINC001164683488 719612711 /nfs/dbraw/zinc/61/27/11/719612711.db2.gz JGJWOCIVSBJBLX-UHFFFAOYSA-N 2 1 460.557 4.116 20 0 JIADMP COc1ccc(-c2nc3ccc(F)cc3c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)n2)cc1 ZINC001164683488 719612715 /nfs/dbraw/zinc/61/27/15/719612715.db2.gz JGJWOCIVSBJBLX-UHFFFAOYSA-N 2 1 460.557 4.116 20 0 JIADMP Cc1cccc(-c2cc(C(F)(F)n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c(Cl)nn2)c1 ZINC001164685254 719653351 /nfs/dbraw/zinc/65/33/51/719653351.db2.gz YQINWTJJHGXFRI-UHFFFAOYSA-N 2 1 460.960 4.385 20 0 JIADMP Cc1cccc(-c2cc(C(F)(F)n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c(Cl)nn2)c1 ZINC001164685254 719653356 /nfs/dbraw/zinc/65/33/56/719653356.db2.gz YQINWTJJHGXFRI-UHFFFAOYSA-N 2 1 460.960 4.385 20 0 JIADMP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3[nH+]ccc4c5c([nH]c43)CCC5)CC2)c2ccccc21 ZINC001164681951 719681785 /nfs/dbraw/zinc/68/17/85/719681785.db2.gz ASGRORLRIFTRIU-FQEVSTJZSA-N 2 1 471.649 4.145 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164818516 720170659 /nfs/dbraw/zinc/17/06/59/720170659.db2.gz SYYQMTWWNMCGRA-QFQXNSOFSA-N 2 1 471.715 4.335 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164818516 720170683 /nfs/dbraw/zinc/17/06/83/720170683.db2.gz SYYQMTWWNMCGRA-QFQXNSOFSA-N 2 1 471.715 4.335 20 0 JIADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@@H]21 ZINC001164837037 720652922 /nfs/dbraw/zinc/65/29/22/720652922.db2.gz AXJTVVFMRFZHSI-NWSQWKLXSA-N 2 1 491.030 4.231 20 0 JIADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH+]cnc3c1ccn3COC(=O)C(C)(C)C)CC2 ZINC001164842703 720692347 /nfs/dbraw/zinc/69/23/47/720692347.db2.gz MUTWIBNZFNJYQY-JOCHJYFZSA-N 2 1 491.636 4.238 20 0 JIADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH+]cnc3c1ccn3COC(=O)C(C)(C)C)CC2 ZINC001164842703 720692354 /nfs/dbraw/zinc/69/23/54/720692354.db2.gz MUTWIBNZFNJYQY-JOCHJYFZSA-N 2 1 491.636 4.238 20 0 JIADMP COc1cccc([C@H](Cn2c(C)nnc2N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)[NH+](C)C)c1 ZINC001315548194 1064559518 /nfs/dbraw/zinc/55/95/18/1064559518.db2.gz XMTAJZPSUDHNCH-LVXARBLLSA-N 2 1 468.690 4.379 20 0 JIADMP COc1cccc(OCC[NH+]2CCN(c3nnc(C(C)(C)C)n3CC[C@@H](C)[NH+]3CCCCC3)CC2)c1 ZINC001315590090 1064676643 /nfs/dbraw/zinc/67/66/43/1064676643.db2.gz JTGHBPFKPUWHEW-HSZRJFAPSA-N 2 1 498.716 4.050 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001315642421 1064807079 /nfs/dbraw/zinc/80/70/79/1064807079.db2.gz DKRDJQZRYMDLIL-HSZRJFAPSA-N 2 1 482.717 4.274 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001315642421 1064807084 /nfs/dbraw/zinc/80/70/84/1064807084.db2.gz DKRDJQZRYMDLIL-HSZRJFAPSA-N 2 1 482.717 4.274 20 0 JIADMP COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3C)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001315707474 1064981300 /nfs/dbraw/zinc/98/13/00/1064981300.db2.gz ZGPXJIOHAZATKI-UHFFFAOYSA-N 2 1 482.717 4.454 20 0 JIADMP Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC001492515959 1066363443 /nfs/dbraw/zinc/36/34/43/1066363443.db2.gz JNRMWFGCBNEEOO-HFZDXXHNSA-N 2 1 453.679 4.080 20 0 JIADMP Cc1ccccc1Cc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCC[NH+](C(C)C)C(C)C ZINC001492580322 1067324223 /nfs/dbraw/zinc/32/42/23/1067324223.db2.gz ARXOXEKVHDNOHE-ZCYQVOJMSA-N 2 1 452.691 4.359 20 0 JIADMP Cc1ccccc1Cc1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCC[NH+](C(C)C)C(C)C ZINC001492580319 1067324353 /nfs/dbraw/zinc/32/43/53/1067324353.db2.gz ARXOXEKVHDNOHE-ILBGXUMGSA-N 2 1 452.691 4.359 20 0 JIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1C ZINC001200089407 1067586987 /nfs/dbraw/zinc/58/69/87/1067586987.db2.gz TYYYTWDJFFXQII-UHFFFAOYSA-N 2 1 459.638 4.188 20 0 JIADMP COc1ccc(-c2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300070742 1067591237 /nfs/dbraw/zinc/59/12/37/1067591237.db2.gz LEOSUMISMIPTNN-ZJSXRUAMSA-N 2 1 498.716 4.249 20 0 JIADMP COc1ccc(-c2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001300074509 1067598223 /nfs/dbraw/zinc/59/82/23/1067598223.db2.gz GXCBXQLIINUXLO-HSZRJFAPSA-N 2 1 482.698 4.314 20 0 JIADMP Cc1ccccc1-c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001492563559 1068041118 /nfs/dbraw/zinc/04/11/18/1068041118.db2.gz GADVBXNZVAJOOJ-UHFFFAOYSA-N 2 1 482.717 4.045 20 0 JIADMP COc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001300292437 1068098602 /nfs/dbraw/zinc/09/86/02/1068098602.db2.gz SPZAIACOUDJKCN-QHCPKHFHSA-N 2 1 484.689 4.051 20 0 JIADMP COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCC[N@H+]2CCCC[C@H]2C)c1 ZINC001300374667 1068441198 /nfs/dbraw/zinc/44/11/98/1068441198.db2.gz JLUPCPFQXHRROA-OAQYLSRUSA-N 2 1 454.663 4.185 20 0 JIADMP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849482604 1069051963 /nfs/dbraw/zinc/05/19/63/1069051963.db2.gz RWYAJEVUZJTIKJ-IZLXSDGUSA-N 2 1 485.676 4.168 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849482604 1069051966 /nfs/dbraw/zinc/05/19/66/1069051966.db2.gz RWYAJEVUZJTIKJ-IZLXSDGUSA-N 2 1 485.676 4.168 20 0 JIADMP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCc3sccc3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849500386 1069072082 /nfs/dbraw/zinc/07/20/82/1069072082.db2.gz HSYBYZRNIBKPQQ-JIMJEQGWSA-N 2 1 491.705 4.211 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCc3sccc3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849500386 1069072087 /nfs/dbraw/zinc/07/20/87/1069072087.db2.gz HSYBYZRNIBKPQQ-JIMJEQGWSA-N 2 1 491.705 4.211 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849500386 1069072092 /nfs/dbraw/zinc/07/20/92/1069072092.db2.gz HSYBYZRNIBKPQQ-JIMJEQGWSA-N 2 1 491.705 4.211 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849500386 1069072098 /nfs/dbraw/zinc/07/20/98/1069072098.db2.gz HSYBYZRNIBKPQQ-JIMJEQGWSA-N 2 1 491.705 4.211 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849545678 1069182876 /nfs/dbraw/zinc/18/28/76/1069182876.db2.gz WFOCZPZIMACBDD-TUSQITKMSA-N 2 1 451.659 4.014 20 0 JIADMP CC(C)[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849575273 1069226908 /nfs/dbraw/zinc/22/69/08/1069226908.db2.gz ZSSXPULVUOIZDH-ZEQRLZLVSA-N 2 1 492.495 4.322 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849575273 1069226923 /nfs/dbraw/zinc/22/69/23/1069226923.db2.gz ZSSXPULVUOIZDH-ZEQRLZLVSA-N 2 1 492.495 4.322 20 0 JIADMP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001300625492 1069256637 /nfs/dbraw/zinc/25/66/37/1069256637.db2.gz YSQYEFHEFYZBRF-UHFFFAOYSA-N 2 1 457.062 4.072 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849606014 1069262615 /nfs/dbraw/zinc/26/26/15/1069262615.db2.gz LGILVDSJRPZLFP-ZEQRLZLVSA-N 2 1 455.672 4.061 20 0 JIADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cccc(C3CC[NH+](Cc4ccccc4)CC3)c2)cn1 ZINC000849606727 1069264077 /nfs/dbraw/zinc/26/40/77/1069264077.db2.gz RCBCDGLPSXZIIA-NSOVKSMOSA-N 2 1 471.649 4.474 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)c2c1C ZINC001164389362 718815500 /nfs/dbraw/zinc/81/55/00/718815500.db2.gz VKPOYJYBTKSLMB-HXUWFJFHSA-N 2 1 453.578 4.415 20 0 JIADMP c1csc(-c2csc3nc(C[NH+]4CCCCC4)nc(N4CCO[C@@H]5C[NH2+]CC[C@H]5C4)c23)c1 ZINC001164406531 718864215 /nfs/dbraw/zinc/86/42/15/718864215.db2.gz HFKDDSVDMJRHNM-PKOBYXMFSA-N 2 1 469.680 4.220 20 0 JIADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@H](C5([NH3+])CC5)[C@H](CF)C4)c32)C1 ZINC001164625948 719122366 /nfs/dbraw/zinc/12/23/66/719122366.db2.gz ZSDBXKCCCMKPLH-LMMKCTJWSA-N 2 1 457.663 4.315 20 0 JIADMP CC(C)N(c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3)c1ncnc2c1CC[NH2+]CC2 ZINC001164662756 719345171 /nfs/dbraw/zinc/34/51/71/719345171.db2.gz RJKOGKGAGRICQT-UHFFFAOYSA-N 2 1 477.682 4.191 20 0 JIADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)c2c1CC[NH2+]C2 ZINC001164681726 719617536 /nfs/dbraw/zinc/61/75/36/719617536.db2.gz AESAGPPPILANAB-UHFFFAOYSA-N 2 1 455.340 4.217 20 0 JIADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)c2c1CC[NH2+]C2 ZINC001164681726 719617549 /nfs/dbraw/zinc/61/75/49/719617549.db2.gz AESAGPPPILANAB-UHFFFAOYSA-N 2 1 455.340 4.217 20 0 JIADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164719121 720122794 /nfs/dbraw/zinc/12/27/94/720122794.db2.gz WMQPDWNEWLKFOC-QHCPKHFHSA-N 2 1 470.061 4.233 20 0 JIADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164719121 720122801 /nfs/dbraw/zinc/12/28/01/720122801.db2.gz WMQPDWNEWLKFOC-QHCPKHFHSA-N 2 1 470.061 4.233 20 0 JIADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)CC2 ZINC001164714254 720122870 /nfs/dbraw/zinc/12/28/70/720122870.db2.gz BEUPBVYOIUNOFX-RUZDIDTESA-N 2 1 482.632 4.382 20 0 JIADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)CC2 ZINC001164714254 720122880 /nfs/dbraw/zinc/12/28/80/720122880.db2.gz BEUPBVYOIUNOFX-RUZDIDTESA-N 2 1 482.632 4.382 20 0 JIADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)CC[C@@H]21 ZINC001164838022 720554352 /nfs/dbraw/zinc/55/43/52/720554352.db2.gz NIRHQFJNLTZQKP-VTZPFEBOSA-N 2 1 473.600 4.193 20 0 JIADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)CC[C@@H]21 ZINC001164838022 720554365 /nfs/dbraw/zinc/55/43/65/720554365.db2.gz NIRHQFJNLTZQKP-VTZPFEBOSA-N 2 1 473.600 4.193 20 0 JIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)nc1 ZINC001164845207 720743882 /nfs/dbraw/zinc/74/38/82/720743882.db2.gz XDCVXKGLEALOOT-XMMPIXPASA-N 2 1 471.653 4.376 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164877036 721144820 /nfs/dbraw/zinc/14/48/20/721144820.db2.gz OETRALBQHGDDIX-YADHBBJMSA-N 2 1 480.682 4.025 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164877036 721144830 /nfs/dbraw/zinc/14/48/30/721144830.db2.gz OETRALBQHGDDIX-YADHBBJMSA-N 2 1 480.682 4.025 20 0 JIADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCC[NH+](Cc2c(C)noc2C)C3)nc1 ZINC001164780341 721373099 /nfs/dbraw/zinc/37/30/99/721373099.db2.gz GCKBHBVIRRJXGD-AHKZPQOWSA-N 2 1 467.658 4.352 20 0 JIADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164780341 721373102 /nfs/dbraw/zinc/37/31/02/721373102.db2.gz GCKBHBVIRRJXGD-AHKZPQOWSA-N 2 1 467.658 4.352 20 0 JIADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164780341 721373107 /nfs/dbraw/zinc/37/31/07/721373107.db2.gz GCKBHBVIRRJXGD-AHKZPQOWSA-N 2 1 467.658 4.352 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@H]32)n1 ZINC001164961254 722051187 /nfs/dbraw/zinc/05/11/87/722051187.db2.gz WUAKSEMLRGQHGC-YOSAUDMPSA-N 2 1 480.682 4.450 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[NH+](C(C)C)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001300651791 1069337194 /nfs/dbraw/zinc/33/71/94/1069337194.db2.gz FIANLARJCAYTQB-UHFFFAOYSA-N 2 1 484.689 4.051 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[NH+](C)C1CCCCC1 ZINC001300651791 1069337214 /nfs/dbraw/zinc/33/72/14/1069337214.db2.gz FIANLARJCAYTQB-UHFFFAOYSA-N 2 1 484.689 4.051 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[NH+](C)C1CCCCC1 ZINC001300651791 1069337231 /nfs/dbraw/zinc/33/72/31/1069337231.db2.gz FIANLARJCAYTQB-UHFFFAOYSA-N 2 1 484.689 4.051 20 0 JIADMP COc1cccc([C@H](C)[NH+]2CCN(c3nnc([C@@H]4CCCCO4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001315544248 1064546152 /nfs/dbraw/zinc/54/61/52/1064546152.db2.gz BTHLDAFZJHSMST-FBILRYNDSA-N 2 1 498.716 4.388 20 0 JIADMP Cc1cccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)n2CCC[N@H+](C)C(C)C)n1 ZINC001492513938 1066353868 /nfs/dbraw/zinc/35/38/68/1066353868.db2.gz MHARECZTZMQVPK-DEOSSOPVSA-N 2 1 467.706 4.471 20 0 JIADMP COc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CCC[NH+](C(C)C)C(C)C)cc1 ZINC001300026548 1067398411 /nfs/dbraw/zinc/39/84/11/1067398411.db2.gz BRWSJNGMZPUVKB-GMAHTHKFSA-N 2 1 454.663 4.136 20 0 JIADMP C[C@@H](c1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1)N1CCOCC1 ZINC001200122751 1067685998 /nfs/dbraw/zinc/68/59/98/1067685998.db2.gz VWDPFZUKDCBTBO-SFHVURJKSA-N 2 1 458.553 4.144 20 0 JIADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001358030761 1067994317 /nfs/dbraw/zinc/99/43/17/1067994317.db2.gz VGAVMZNWBBYKMF-POGFHVCPSA-N 2 1 466.645 4.303 20 0 JIADMP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCC3)CC2)c1 ZINC001300334937 1068304182 /nfs/dbraw/zinc/30/41/82/1068304182.db2.gz LAANQRPUTGNOSL-OAQYLSRUSA-N 2 1 468.690 4.243 20 0 JIADMP COc1cccc(-c2nnc(N3CC[NH+](Cc4cccs4)CC3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001300389429 1068500482 /nfs/dbraw/zinc/50/04/82/1068500482.db2.gz NUCLPIMXHCVWRA-UHFFFAOYSA-N 2 1 482.698 4.456 20 0 JIADMP COc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001300390203 1068503997 /nfs/dbraw/zinc/50/39/97/1068503997.db2.gz UDWUWIOIZQNSJZ-JOCHJYFZSA-N 2 1 468.690 4.242 20 0 JIADMP COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001300509998 1068885747 /nfs/dbraw/zinc/88/57/47/1068885747.db2.gz BFVBOEUHACADHV-JOCHJYFZSA-N 2 1 468.690 4.242 20 0 JIADMP COc1ccccc1-c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCC[NH+](C(C)C)C(C)C ZINC001300513829 1068894891 /nfs/dbraw/zinc/89/48/91/1068894891.db2.gz RLEJLICUBGDYLN-JOCHJYFZSA-N 2 1 454.663 4.137 20 0 JIADMP CCCOc1c(Br)cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1OCC ZINC001200623121 1069085301 /nfs/dbraw/zinc/08/53/01/1069085301.db2.gz VVMIIXOOAIIHGR-KRWDZBQOSA-N 2 1 455.437 4.227 20 0 JIADMP COc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001300573187 1069086970 /nfs/dbraw/zinc/08/69/70/1069086970.db2.gz DNTTVWQJTLKARA-QHCPKHFHSA-N 2 1 482.717 4.168 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849523172 1069115852 /nfs/dbraw/zinc/11/58/52/1069115852.db2.gz UTBUUTJFCPWRKF-LOSJGSFVSA-N 2 1 472.077 4.012 20 0 JIADMP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849597901 1069254484 /nfs/dbraw/zinc/25/44/84/1069254484.db2.gz WQNCMWYWNRINMZ-ULNSLHSMSA-N 2 1 493.740 4.426 20 0 JIADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849597901 1069254506 /nfs/dbraw/zinc/25/45/06/1069254506.db2.gz WQNCMWYWNRINMZ-ULNSLHSMSA-N 2 1 493.740 4.426 20 0 JIADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849597901 1069254521 /nfs/dbraw/zinc/25/45/21/1069254521.db2.gz WQNCMWYWNRINMZ-ULNSLHSMSA-N 2 1 493.740 4.426 20 0 JIADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164613970 719017393 /nfs/dbraw/zinc/01/73/93/719017393.db2.gz AUOPVEVOCXJYHI-ILWGZMRPSA-N 2 1 491.661 4.074 20 0 JIADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164817528 720168748 /nfs/dbraw/zinc/16/87/48/720168748.db2.gz PSTYKUPICKJPLQ-HFZDXXHNSA-N 2 1 469.699 4.089 20 0 JIADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164817528 720168752 /nfs/dbraw/zinc/16/87/52/720168752.db2.gz PSTYKUPICKJPLQ-HFZDXXHNSA-N 2 1 469.699 4.089 20 0 JIADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4Cc5nccn5C[C@H](C[NH+](C)C)C4)c23)C1 ZINC001164733333 720524450 /nfs/dbraw/zinc/52/44/50/720524450.db2.gz JCGMRCFGDRIAGN-PMACEKPBSA-N 2 1 493.725 4.197 20 0 JIADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)CC[C@@H]21 ZINC001164835776 720526678 /nfs/dbraw/zinc/52/66/78/720526678.db2.gz LGZUMXHOTGQIIO-NSVAZKTRSA-N 2 1 470.665 4.214 20 0 JIADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC[C@@H]21 ZINC001164835776 720526686 /nfs/dbraw/zinc/52/66/86/720526686.db2.gz LGZUMXHOTGQIIO-NSVAZKTRSA-N 2 1 470.665 4.214 20 0 JIADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC[C@@H]21 ZINC001164835776 720526691 /nfs/dbraw/zinc/52/66/91/720526691.db2.gz LGZUMXHOTGQIIO-NSVAZKTRSA-N 2 1 470.665 4.214 20 0 JIADMP CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837042 720651298 /nfs/dbraw/zinc/65/12/98/720651298.db2.gz AXJTVVFMRFZHSI-UNWVZKJWSA-N 2 1 491.030 4.231 20 0 JIADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCC[NH+](Cc2c(C)noc2C)C3)nc1 ZINC001164780343 721373919 /nfs/dbraw/zinc/37/39/19/721373919.db2.gz GCKBHBVIRRJXGD-VPUSJEBWSA-N 2 1 467.658 4.352 20 0 JIADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164780343 721373920 /nfs/dbraw/zinc/37/39/20/721373920.db2.gz GCKBHBVIRRJXGD-VPUSJEBWSA-N 2 1 467.658 4.352 20 0 JIADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164780343 721373922 /nfs/dbraw/zinc/37/39/22/721373922.db2.gz GCKBHBVIRRJXGD-VPUSJEBWSA-N 2 1 467.658 4.352 20 0 JIADMP COc1ccc(CN(C)c2cc[nH+]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)n2)cc1 ZINC001165027057 721829336 /nfs/dbraw/zinc/82/93/36/721829336.db2.gz RKIWSAAQBBIZJI-HRNNMHKYSA-N 2 1 472.637 4.254 20 0 JIADMP COc1ccc(CN(C)c2cc[nH+]c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)n2)cc1 ZINC001165027057 721829339 /nfs/dbraw/zinc/82/93/39/721829339.db2.gz RKIWSAAQBBIZJI-HRNNMHKYSA-N 2 1 472.637 4.254 20 0 JIADMP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164972438 722124835 /nfs/dbraw/zinc/12/48/35/722124835.db2.gz FICVZTZSRNGOCP-SQHAQQRYSA-N 2 1 453.590 4.207 20 0 JIADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)Nc2ccc(Br)cc2OC(F)(F)F)CC1 ZINC001200708201 1069345190 /nfs/dbraw/zinc/34/51/90/1069345190.db2.gz HMBOPMSNYCLPTP-UHFFFAOYSA-N 2 1 490.349 4.303 20 0 JIADMP CC(C)(C)[N@H+]1CCCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001359548729 1069856171 /nfs/dbraw/zinc/85/61/71/1069856171.db2.gz OMHBSCRBZYNXFN-UHFFFAOYSA-N 2 1 482.717 4.475 20 0 JIADMP CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001359664725 1070293033 /nfs/dbraw/zinc/29/30/33/1070293033.db2.gz LNMVKJIVBIHVLB-QFIPXVFZSA-N 2 1 458.720 4.361 20 0 JIADMP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(C(C)(C)C)n3CC[NH+]3CCC(C)CC3)CC2)c1 ZINC001315546495 1064553883 /nfs/dbraw/zinc/55/38/83/1064553883.db2.gz VSPOVUMVARFDPD-JOCHJYFZSA-N 2 1 468.690 4.199 20 0 JIADMP COc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001315563401 1064591366 /nfs/dbraw/zinc/59/13/66/1064591366.db2.gz REGWOHVXYFGFQV-CUNXSJBXSA-N 2 1 468.690 4.385 20 0 JIADMP COCC[N@@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001316066215 1065704418 /nfs/dbraw/zinc/70/44/18/1065704418.db2.gz WOLJDVAWTHGHRY-RUZDIDTESA-N 2 1 482.717 4.276 20 0 JIADMP COCC[N@@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001316066217 1065704791 /nfs/dbraw/zinc/70/47/91/1065704791.db2.gz WOLJDVAWTHGHRY-VWLOTQADSA-N 2 1 482.717 4.276 20 0 JIADMP Cc1cccc(-c2nnc(N3CC[NH+](CC4CCCCC4)CC3)n2CCC[N@H+](C)C(C)C)n1 ZINC001492518921 1066381485 /nfs/dbraw/zinc/38/14/85/1066381485.db2.gz WEVUPWCFQPDSBA-UHFFFAOYSA-N 2 1 453.679 4.081 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC[NH+](C(C)C)C(C)C)c(OC)c1 ZINC001300062528 1067570157 /nfs/dbraw/zinc/57/01/57/1067570157.db2.gz DCVXITOANPEYBI-UHFFFAOYSA-N 2 1 472.678 4.002 20 0 JIADMP COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300068170 1067585914 /nfs/dbraw/zinc/58/59/14/1067585914.db2.gz ZWGSKUFMFLTLEK-QFIPXVFZSA-N 2 1 468.690 4.386 20 0 JIADMP COc1ccc(-c2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001300074824 1067598767 /nfs/dbraw/zinc/59/87/67/1067598767.db2.gz GXCBXQLIINUXLO-QHCPKHFHSA-N 2 1 482.698 4.314 20 0 JIADMP C[C@@H]1C[C@@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001356500725 1067765222 /nfs/dbraw/zinc/76/52/22/1067765222.db2.gz FKQJOJCZOLDALY-ISKFKSNPSA-N 2 1 459.638 4.142 20 0 JIADMP CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC001300145303 1067799177 /nfs/dbraw/zinc/79/91/77/1067799177.db2.gz RIPAYEHVZDUFTR-UHFFFAOYSA-N 2 1 457.622 4.498 20 0 JIADMP CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC001300145303 1067799186 /nfs/dbraw/zinc/79/91/86/1067799186.db2.gz RIPAYEHVZDUFTR-UHFFFAOYSA-N 2 1 457.622 4.498 20 0 JIADMP COc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@H](C)C2)c1 ZINC001300389736 1068501816 /nfs/dbraw/zinc/50/18/16/1068501816.db2.gz QBELCAXNAYXRTM-QFIPXVFZSA-N 2 1 468.690 4.244 20 0 JIADMP Cc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001492587343 1069024164 /nfs/dbraw/zinc/02/41/64/1069024164.db2.gz MYYVTVAELIWQHF-QHCPKHFHSA-N 2 1 466.718 4.467 20 0 JIADMP COc1ccccc1Cc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC[NH+](C(C)C)C(C)C ZINC001300572850 1069085342 /nfs/dbraw/zinc/08/53/42/1069085342.db2.gz MHKDSUYLLSVSKE-HSZRJFAPSA-N 2 1 482.717 4.307 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518236 1069104926 /nfs/dbraw/zinc/10/49/26/1069104926.db2.gz QKYIWPBVRJVKAI-UIOOFZCWSA-N 2 1 494.684 4.077 20 0 JIADMP CCC(CC)(CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)[NH2+][C@H](C)c1ccccc1 ZINC000849545905 1069182001 /nfs/dbraw/zinc/18/20/01/1069182001.db2.gz YIIFIQVIAVMYTA-SDUSCBPUSA-N 2 1 453.675 4.260 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)N(CC[NH+](C)Cc2ccccc2)Cc2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849559656 1069208922 /nfs/dbraw/zinc/20/89/22/1069208922.db2.gz VRRNFQOSAMWCDP-FQLXRVMXSA-N 2 1 487.692 4.395 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849559656 1069208944 /nfs/dbraw/zinc/20/89/44/1069208944.db2.gz VRRNFQOSAMWCDP-FQLXRVMXSA-N 2 1 487.692 4.395 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)N(CC[N@@H+](C)Cc2ccccc2)Cc2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849559656 1069208985 /nfs/dbraw/zinc/20/89/85/1069208985.db2.gz VRRNFQOSAMWCDP-FQLXRVMXSA-N 2 1 487.692 4.395 20 0 JIADMP CCC1(CNC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000849570033 1069220980 /nfs/dbraw/zinc/22/09/80/1069220980.db2.gz YONXULCDYHPFSE-IZZNHLLZSA-N 2 1 465.686 4.043 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001300615311 1069228585 /nfs/dbraw/zinc/22/85/85/1069228585.db2.gz QXANMPXUDHPGAF-DEOSSOPVSA-N 2 1 482.717 4.175 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001300615311 1069228597 /nfs/dbraw/zinc/22/85/97/1069228597.db2.gz QXANMPXUDHPGAF-DEOSSOPVSA-N 2 1 482.717 4.175 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)Nc2nc3ccc(C[NH+](C)C4CC4)cc3s2)[C@H](c2cnn(C)c2)C1 ZINC000849607972 1069266054 /nfs/dbraw/zinc/26/60/54/1069266054.db2.gz MMIJODCPOVMAJP-SFTDATJTSA-N 2 1 466.655 4.077 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)Nc2nc3ccc(C[N@H+](C)C4CC4)cc3s2)[C@H](c2cnn(C)c2)C1 ZINC000849607972 1069266068 /nfs/dbraw/zinc/26/60/68/1069266068.db2.gz MMIJODCPOVMAJP-SFTDATJTSA-N 2 1 466.655 4.077 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)[C@H](c2cnn(C)c2)C1 ZINC000849607972 1069266081 /nfs/dbraw/zinc/26/60/81/1069266081.db2.gz MMIJODCPOVMAJP-SFTDATJTSA-N 2 1 466.655 4.077 20 0 JIADMP CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000849613979 1069275540 /nfs/dbraw/zinc/27/55/40/1069275540.db2.gz WKJXZLPDFPKYRF-XJXBIZEQSA-N 2 1 453.675 4.116 20 0 JIADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)n2)CC1 ZINC001164405010 718864397 /nfs/dbraw/zinc/86/43/97/718864397.db2.gz CEAJDZWNVOZKII-AZUAARDMSA-N 2 1 483.707 4.466 20 0 JIADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164614393 719010500 /nfs/dbraw/zinc/01/05/00/719010500.db2.gz FGFKJUVTYAROMX-CCLHPLFOSA-N 2 1 497.709 4.053 20 0 JIADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164613968 719017693 /nfs/dbraw/zinc/01/76/93/719017693.db2.gz AUOPVEVOCXJYHI-BVSLBCMMSA-N 2 1 491.661 4.074 20 0 JIADMP Cc1nc2c(cc(-c3nc(-n4nc(C[N@H+](C)C(C)C)c5c4C[NH2+]CC5)ncc3F)cc2F)n1C(C)C ZINC001164681625 719622772 /nfs/dbraw/zinc/62/27/72/719622772.db2.gz JQTBFXMELMIPOE-UHFFFAOYSA-N 2 1 494.594 4.332 20 0 JIADMP Cc1nc2c(cc(-c3nc(-n4nc(C[N@@H+](C)C(C)C)c5c4C[NH2+]CC5)ncc3F)cc2F)n1C(C)C ZINC001164681625 719622776 /nfs/dbraw/zinc/62/27/76/719622776.db2.gz JQTBFXMELMIPOE-UHFFFAOYSA-N 2 1 494.594 4.332 20 0 JIADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4Cc5nccn5C[C@@H](C[NH+](C)C)C4)c23)C1 ZINC001164733340 720524319 /nfs/dbraw/zinc/52/43/19/720524319.db2.gz JCGMRCFGDRIAGN-WOJBJXKFSA-N 2 1 493.725 4.197 20 0 JIADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4Cc5nccn5C[C@@H](C[NH+](C)C)C4)c23)C1 ZINC001164733338 720524745 /nfs/dbraw/zinc/52/47/45/720524745.db2.gz JCGMRCFGDRIAGN-VQTJNVASSA-N 2 1 493.725 4.197 20 0 JIADMP CC(C)[N@H+]1[C@@H]2CCN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835015 720555360 /nfs/dbraw/zinc/55/53/60/720555360.db2.gz GSGWPNUDICWYEK-NMVJMZGASA-N 2 1 473.600 4.193 20 0 JIADMP CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835015 720555378 /nfs/dbraw/zinc/55/53/78/720555378.db2.gz GSGWPNUDICWYEK-NMVJMZGASA-N 2 1 473.600 4.193 20 0 JIADMP COc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]c2ccccc21 ZINC001164751764 720899155 /nfs/dbraw/zinc/89/91/55/720899155.db2.gz DLHYRYSGXVHRCF-NEKDWFFYSA-N 2 1 458.606 4.394 20 0 JIADMP COc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]c2ccccc21 ZINC001164751764 720899160 /nfs/dbraw/zinc/89/91/60/720899160.db2.gz DLHYRYSGXVHRCF-NEKDWFFYSA-N 2 1 458.606 4.394 20 0 JIADMP C(c1nc2sc3c(c2c(N2CC4(C2)CC[N@@H+](CC2CC2)C4)n1)CCCC3)[NH+]1CCCCC1 ZINC001164768897 721297811 /nfs/dbraw/zinc/29/78/11/721297811.db2.gz JOPOPWYMTBBVRI-UHFFFAOYSA-N 2 1 451.684 4.478 20 0 JIADMP C(c1nc2sc3c(c2c(N2CC4(C2)CC[N@H+](CC2CC2)C4)n1)CCCC3)[NH+]1CCCCC1 ZINC001164768897 721297814 /nfs/dbraw/zinc/29/78/14/721297814.db2.gz JOPOPWYMTBBVRI-UHFFFAOYSA-N 2 1 451.684 4.478 20 0 JIADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC5(C4)CC[N@H+](CC4CC4)C5)c23)C1 ZINC001164767888 721299080 /nfs/dbraw/zinc/29/90/80/721299080.db2.gz AXACRDAWYNDOCY-GOSISDBHSA-N 2 1 451.684 4.334 20 0 JIADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC5(C4)CC[N@@H+](CC4CC4)C5)c23)C1 ZINC001164767888 721299084 /nfs/dbraw/zinc/29/90/84/721299084.db2.gz AXACRDAWYNDOCY-GOSISDBHSA-N 2 1 451.684 4.334 20 0 JIADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)CC2 ZINC001164782763 721461434 /nfs/dbraw/zinc/46/14/34/721461434.db2.gz BNUSTDVCKOPCDG-VWLOTQADSA-N 2 1 489.664 4.214 20 0 JIADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)CC2 ZINC001164782763 721461435 /nfs/dbraw/zinc/46/14/35/721461435.db2.gz BNUSTDVCKOPCDG-VWLOTQADSA-N 2 1 489.664 4.214 20 0 JIADMP Fc1ccc(-c2nn(-c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)c3c2CC[NH2+]CC3)cc1 ZINC001164799495 721597125 /nfs/dbraw/zinc/59/71/25/721597125.db2.gz MLZBKOIIKFLCPN-UHFFFAOYSA-N 2 1 453.565 4.320 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@@H]23)n1 ZINC001164961240 722051272 /nfs/dbraw/zinc/05/12/72/722051272.db2.gz WUAKSEMLRGQHGC-DCLXLUIPSA-N 2 1 480.682 4.450 20 0 JIADMP CC(C)(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001359535223 1069828648 /nfs/dbraw/zinc/82/86/48/1069828648.db2.gz MTYNIEADNJZICI-QHCPKHFHSA-N 2 1 474.738 4.070 20 0 JIADMP CC(C)(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001359535223 1069828649 /nfs/dbraw/zinc/82/86/49/1069828649.db2.gz MTYNIEADNJZICI-QHCPKHFHSA-N 2 1 474.738 4.070 20 0 JIADMP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC001315545278 1064550493 /nfs/dbraw/zinc/55/04/93/1064550493.db2.gz MUAQXNIGXOLOIU-PKTZIBPZSA-N 2 1 482.717 4.490 20 0 JIADMP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC001315545278 1064550508 /nfs/dbraw/zinc/55/05/08/1064550508.db2.gz MUAQXNIGXOLOIU-PKTZIBPZSA-N 2 1 482.717 4.490 20 0 JIADMP COc1cccc([C@H](Cn2c(-c3cccnc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)[NH+](C)C)c1 ZINC001315545410 1064550836 /nfs/dbraw/zinc/55/08/36/1064550836.db2.gz ASPFKFWGWOVLOA-SANMLTNESA-N 2 1 491.684 4.208 20 0 JIADMP COc1ccccc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001315603696 1064715731 /nfs/dbraw/zinc/71/57/31/1064715731.db2.gz BCVZZBCYEBBOQM-UHFFFAOYSA-N 2 1 468.690 4.386 20 0 JIADMP COc1ccccc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001315606068 1064721643 /nfs/dbraw/zinc/72/16/43/1064721643.db2.gz YCSUVTGLVFIZBH-QFIPXVFZSA-N 2 1 468.690 4.386 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001316125358 1065794152 /nfs/dbraw/zinc/79/41/52/1065794152.db2.gz NMQKOECDNJLFDO-RBUKOAKNSA-N 2 1 495.499 4.141 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001316125358 1065794166 /nfs/dbraw/zinc/79/41/66/1065794166.db2.gz NMQKOECDNJLFDO-RBUKOAKNSA-N 2 1 495.499 4.141 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001316125358 1065794182 /nfs/dbraw/zinc/79/41/82/1065794182.db2.gz NMQKOECDNJLFDO-RBUKOAKNSA-N 2 1 495.499 4.141 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001316126069 1065797868 /nfs/dbraw/zinc/79/78/68/1065797868.db2.gz XAORTYORPXRBLB-FQEVSTJZSA-N 2 1 475.081 4.020 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001316126069 1065797887 /nfs/dbraw/zinc/79/78/87/1065797887.db2.gz XAORTYORPXRBLB-FQEVSTJZSA-N 2 1 475.081 4.020 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001316126069 1065797909 /nfs/dbraw/zinc/79/79/09/1065797909.db2.gz XAORTYORPXRBLB-FQEVSTJZSA-N 2 1 475.081 4.020 20 0 JIADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(C)(C)C)n2C[C@@H](c2cccs2)[NH+]2CCCC2)C[C@H](C)O1 ZINC001316504502 1066474558 /nfs/dbraw/zinc/47/45/58/1066474558.db2.gz MMKUUCUFFDSCAT-HBMCJLEFSA-N 2 1 474.719 4.020 20 0 JIADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(C(C)(C)C)n2C[C@@H](c2cccs2)[NH+]2CCCC2)C[C@H](C)O1 ZINC001316504502 1066474565 /nfs/dbraw/zinc/47/45/65/1066474565.db2.gz MMKUUCUFFDSCAT-HBMCJLEFSA-N 2 1 474.719 4.020 20 0 JIADMP Cc1cccc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC001492534647 1066581494 /nfs/dbraw/zinc/58/14/94/1066581494.db2.gz JGIKHEYSEYGMMR-RPWUZVMVSA-N 2 1 452.691 4.228 20 0 JIADMP COc1ccccc1[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[NH+]1CCCC1 ZINC001323085775 1067313736 /nfs/dbraw/zinc/31/37/36/1067313736.db2.gz KIWQRDPEGZBUBX-RUZDIDTESA-N 2 1 450.627 4.058 20 0 JIADMP Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001492559579 1067885109 /nfs/dbraw/zinc/88/51/09/1067885109.db2.gz GWLMTZMSEWRAIY-UHFFFAOYSA-N 2 1 482.717 4.313 20 0 JIADMP Cc1ccccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001492559579 1067885110 /nfs/dbraw/zinc/88/51/10/1067885110.db2.gz GWLMTZMSEWRAIY-UHFFFAOYSA-N 2 1 482.717 4.313 20 0 JIADMP C[C@H]1C[NH+](Cc2ccc(C(=O)N(C)CCC3CCN(c4cc[nH+]cc4)CC3)cc2)C[C@H](C)O1 ZINC001357822159 1067912681 /nfs/dbraw/zinc/91/26/81/1067912681.db2.gz VKASDPXKGCNSDK-VXKWHMMOSA-N 2 1 450.627 4.070 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001300566653 1069058665 /nfs/dbraw/zinc/05/86/65/1069058665.db2.gz DUKFJMKUZONJSP-HSZRJFAPSA-N 2 1 482.717 4.309 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1CCC[NH+](C(C)C)C1 ZINC001300566653 1069058666 /nfs/dbraw/zinc/05/86/66/1069058666.db2.gz DUKFJMKUZONJSP-HSZRJFAPSA-N 2 1 482.717 4.309 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CCC[NH+](C(C)C)C1 ZINC001300566653 1069058669 /nfs/dbraw/zinc/05/86/69/1069058669.db2.gz DUKFJMKUZONJSP-HSZRJFAPSA-N 2 1 482.717 4.309 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001300568578 1069068404 /nfs/dbraw/zinc/06/84/04/1069068404.db2.gz UTLMJUKRBUPXTE-UHFFFAOYSA-N 2 1 482.717 4.453 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[NH+](C)C1CCCCC1 ZINC001300568578 1069068407 /nfs/dbraw/zinc/06/84/07/1069068407.db2.gz UTLMJUKRBUPXTE-UHFFFAOYSA-N 2 1 482.717 4.453 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[NH+](C)C1CCCCC1 ZINC001300568578 1069068409 /nfs/dbraw/zinc/06/84/09/1069068409.db2.gz UTLMJUKRBUPXTE-UHFFFAOYSA-N 2 1 482.717 4.453 20 0 JIADMP CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2Cl)CC1 ZINC000849505592 1069087079 /nfs/dbraw/zinc/08/70/79/1069087079.db2.gz IIQDYUISKRRMRR-PKTZIBPZSA-N 2 1 487.092 4.058 20 0 JIADMP CCCN(C(=O)[C@@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000849515848 1069102408 /nfs/dbraw/zinc/10/24/08/1069102408.db2.gz MXHSQJUKSZWOKO-OYUWMTPXSA-N 2 1 465.686 4.137 20 0 JIADMP CCCN(C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000849515848 1069102410 /nfs/dbraw/zinc/10/24/10/1069102410.db2.gz MXHSQJUKSZWOKO-OYUWMTPXSA-N 2 1 465.686 4.137 20 0 JIADMP CCCN(C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000849515848 1069102415 /nfs/dbraw/zinc/10/24/15/1069102415.db2.gz MXHSQJUKSZWOKO-OYUWMTPXSA-N 2 1 465.686 4.137 20 0 JIADMP Cc1cccc([C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001354366254 1069142815 /nfs/dbraw/zinc/14/28/15/1069142815.db2.gz BVAWJYMZSCXFJA-AYFYORAVSA-N 2 1 463.666 4.215 20 0 JIADMP Cc1cccc([C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001354366254 1069142819 /nfs/dbraw/zinc/14/28/19/1069142819.db2.gz BVAWJYMZSCXFJA-AYFYORAVSA-N 2 1 463.666 4.215 20 0 JIADMP Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001354366254 1069142832 /nfs/dbraw/zinc/14/28/32/1069142832.db2.gz BVAWJYMZSCXFJA-AYFYORAVSA-N 2 1 463.666 4.215 20 0 JIADMP Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001354366254 1069142851 /nfs/dbraw/zinc/14/28/51/1069142851.db2.gz BVAWJYMZSCXFJA-AYFYORAVSA-N 2 1 463.666 4.215 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C3(CCCCC3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849556127 1069201688 /nfs/dbraw/zinc/20/16/88/1069201688.db2.gz VNFSIGHJTIHRLV-SXOMAYOGSA-N 2 1 477.697 4.281 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849556127 1069201715 /nfs/dbraw/zinc/20/17/15/1069201715.db2.gz VNFSIGHJTIHRLV-SXOMAYOGSA-N 2 1 477.697 4.281 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849556127 1069201734 /nfs/dbraw/zinc/20/17/34/1069201734.db2.gz VNFSIGHJTIHRLV-SXOMAYOGSA-N 2 1 477.697 4.281 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)N(CC[NH+](C)Cc2ccccc2)Cc2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849559661 1069210342 /nfs/dbraw/zinc/21/03/42/1069210342.db2.gz VRRNFQOSAMWCDP-VMPREFPWSA-N 2 1 487.692 4.395 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849559661 1069210356 /nfs/dbraw/zinc/21/03/56/1069210356.db2.gz VRRNFQOSAMWCDP-VMPREFPWSA-N 2 1 487.692 4.395 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)N(CC[N@@H+](C)Cc2ccccc2)Cc2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849559661 1069210376 /nfs/dbraw/zinc/21/03/76/1069210376.db2.gz VRRNFQOSAMWCDP-VMPREFPWSA-N 2 1 487.692 4.395 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849574485 1069225309 /nfs/dbraw/zinc/22/53/09/1069225309.db2.gz YJZUIMFLGFOCCX-IZZNHLLZSA-N 2 1 451.659 4.147 20 0 JIADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000849600410 1069255851 /nfs/dbraw/zinc/25/58/51/1069255851.db2.gz HGMSTTOWNVSSQN-HZFUHODCSA-N 2 1 477.697 4.139 20 0 JIADMP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849611147 1069270981 /nfs/dbraw/zinc/27/09/81/1069270981.db2.gz UGKMSTYXRXDNEK-JWQCQUIFSA-N 2 1 474.093 4.258 20 0 JIADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3c1ccn3C1CCCC1)CC2 ZINC001164718586 720121978 /nfs/dbraw/zinc/12/19/78/720121978.db2.gz SWYOFXSADMIVGB-HSZRJFAPSA-N 2 1 460.626 4.449 20 0 JIADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3c1ccn3C1CCCC1)CC2 ZINC001164718586 720121986 /nfs/dbraw/zinc/12/19/86/720121986.db2.gz SWYOFXSADMIVGB-HSZRJFAPSA-N 2 1 460.626 4.449 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N([C@@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)c2c1C ZINC001164735587 720546259 /nfs/dbraw/zinc/54/62/59/720546259.db2.gz PWCCXCUQZKBQCL-IBGZPJMESA-N 2 1 457.688 4.420 20 0 JIADMP CC(C)[N@H+]1[C@@H]2CCN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838016 720552295 /nfs/dbraw/zinc/55/22/95/720552295.db2.gz NIRHQFJNLTZQKP-NMVJMZGASA-N 2 1 473.600 4.193 20 0 JIADMP CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838016 720552302 /nfs/dbraw/zinc/55/23/02/720552302.db2.gz NIRHQFJNLTZQKP-NMVJMZGASA-N 2 1 473.600 4.193 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1C ZINC001164835271 720605788 /nfs/dbraw/zinc/60/57/88/720605788.db2.gz AUYPLEBCKNNZDJ-XPWALMASSA-N 2 1 493.725 4.478 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1C ZINC001164835271 720605792 /nfs/dbraw/zinc/60/57/92/720605792.db2.gz AUYPLEBCKNNZDJ-XPWALMASSA-N 2 1 493.725 4.478 20 0 JIADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754392 720904129 /nfs/dbraw/zinc/90/41/29/720904129.db2.gz ITNAJAFKVVMDBF-YIXXDRMTSA-N 2 1 460.626 4.162 20 0 JIADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754392 720904138 /nfs/dbraw/zinc/90/41/38/720904138.db2.gz ITNAJAFKVVMDBF-YIXXDRMTSA-N 2 1 460.626 4.162 20 0 JIADMP Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)CC[N@H+]3C2)c1 ZINC001164907217 721567670 /nfs/dbraw/zinc/56/76/70/721567670.db2.gz MTYGRCCPVGTKPT-CTNGQTDRSA-N 2 1 478.946 4.138 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164974326 722141640 /nfs/dbraw/zinc/14/16/40/722141640.db2.gz DGJZSOHSWUAQGX-XZOQPEGZSA-N 2 1 492.693 4.026 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164974326 722141644 /nfs/dbraw/zinc/14/16/44/722141644.db2.gz DGJZSOHSWUAQGX-XZOQPEGZSA-N 2 1 492.693 4.026 20 0 JIADMP CC(C)(C)c1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCC[NH+]2CCOCC2)cc1 ZINC001359497452 1069738203 /nfs/dbraw/zinc/73/82/03/1069738203.db2.gz SFRSIENCQFTKMF-UHFFFAOYSA-N 2 1 482.717 4.276 20 0 JIADMP CC(C)(C)c1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCC[NH+]2CCOCC2)cc1 ZINC001359497452 1069738226 /nfs/dbraw/zinc/73/82/26/1069738226.db2.gz SFRSIENCQFTKMF-UHFFFAOYSA-N 2 1 482.717 4.276 20 0 JIADMP COc1ccc(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001315531386 1064516467 /nfs/dbraw/zinc/51/64/67/1064516467.db2.gz XJPAARSDSNGUFT-XMMPIXPASA-N 2 1 498.716 4.154 20 0 JIADMP COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H]2CCC[NH+](CC(C)C)C2)cc1 ZINC001315531386 1064516477 /nfs/dbraw/zinc/51/64/77/1064516477.db2.gz XJPAARSDSNGUFT-XMMPIXPASA-N 2 1 498.716 4.154 20 0 JIADMP COc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H]2CCC[NH+](CC(C)C)C2)cc1 ZINC001315531386 1064516488 /nfs/dbraw/zinc/51/64/88/1064516488.db2.gz XJPAARSDSNGUFT-XMMPIXPASA-N 2 1 498.716 4.154 20 0 JIADMP COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001315558807 1064582831 /nfs/dbraw/zinc/58/28/31/1064582831.db2.gz IWTRETKYOJGHEE-OAQYLSRUSA-N 2 1 454.663 4.041 20 0 JIADMP COc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001315563403 1064591087 /nfs/dbraw/zinc/59/10/87/1064591087.db2.gz REGWOHVXYFGFQV-WXVAWEFUSA-N 2 1 468.690 4.385 20 0 JIADMP COc1ccccc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001315599286 1064704152 /nfs/dbraw/zinc/70/41/52/1064704152.db2.gz GQGAMRKYEUAQTC-HSZRJFAPSA-N 2 1 454.663 4.041 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+](C)C(C)C)C[C@H]1C ZINC001316126157 1065798567 /nfs/dbraw/zinc/79/85/67/1065798567.db2.gz YJUIKHARMQOFKU-GOSISDBHSA-N 2 1 483.488 4.139 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@H+](C)C(C)C)C[C@H]1C ZINC001316126157 1065798577 /nfs/dbraw/zinc/79/85/77/1065798577.db2.gz YJUIKHARMQOFKU-GOSISDBHSA-N 2 1 483.488 4.139 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@@H+](C)C(C)C)C[C@H]1C ZINC001316126157 1065798590 /nfs/dbraw/zinc/79/85/90/1065798590.db2.gz YJUIKHARMQOFKU-GOSISDBHSA-N 2 1 483.488 4.139 20 0 JIADMP CSC1(Cn2c(C(C)C)nnc2N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)CC[NH+](C)CC1 ZINC001316397313 1066174971 /nfs/dbraw/zinc/17/49/71/1066174971.db2.gz DABFGVGVCMZLKW-JOCHJYFZSA-N 2 1 470.731 4.330 20 0 JIADMP Cc1cccn2cc(COc3ccc(C[NH2+]Cc4cccc(C[NH+]5CCN(C)CC5)c4)cc3)nc12 ZINC001327213536 1066313568 /nfs/dbraw/zinc/31/35/68/1066313568.db2.gz WPMQGEJJTYPGNK-UHFFFAOYSA-N 2 1 469.633 4.259 20 0 JIADMP Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001492578368 1067211907 /nfs/dbraw/zinc/21/19/07/1067211907.db2.gz HENPZGFLFWHCIJ-FBLLAGFSSA-N 2 1 496.725 4.087 20 0 JIADMP Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001492578368 1067211924 /nfs/dbraw/zinc/21/19/24/1067211924.db2.gz HENPZGFLFWHCIJ-FBLLAGFSSA-N 2 1 496.725 4.087 20 0 JIADMP CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc4[nH]c(C[NH+]5CCCCC5)nc4c3)cc2)CC1 ZINC001322392683 1067286116 /nfs/dbraw/zinc/28/61/16/1067286116.db2.gz LAGQXGFQECKZPS-UHFFFAOYSA-N 2 1 460.626 4.332 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300062692 1067570783 /nfs/dbraw/zinc/57/07/83/1067570783.db2.gz IUKIOVQAFBGOPK-XMMPIXPASA-N 2 1 498.716 4.393 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300062982 1067571629 /nfs/dbraw/zinc/57/16/29/1067571629.db2.gz LFTZQOXIVLRLFC-XMMPIXPASA-N 2 1 484.689 4.003 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H]2[NH+](C)CCCC2(C)C)c(OC)c1 ZINC001300062982 1067571640 /nfs/dbraw/zinc/57/16/40/1067571640.db2.gz LFTZQOXIVLRLFC-XMMPIXPASA-N 2 1 484.689 4.003 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H]2[NH+](C)CCCC2(C)C)c(OC)c1 ZINC001300062982 1067571653 /nfs/dbraw/zinc/57/16/53/1067571653.db2.gz LFTZQOXIVLRLFC-XMMPIXPASA-N 2 1 484.689 4.003 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300062981 1067571767 /nfs/dbraw/zinc/57/17/67/1067571767.db2.gz LFTZQOXIVLRLFC-DEOSSOPVSA-N 2 1 484.689 4.003 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H]2[NH+](C)CCCC2(C)C)c(OC)c1 ZINC001300062981 1067571799 /nfs/dbraw/zinc/57/17/99/1067571799.db2.gz LFTZQOXIVLRLFC-DEOSSOPVSA-N 2 1 484.689 4.003 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H]2[NH+](C)CCCC2(C)C)c(OC)c1 ZINC001300062981 1067571832 /nfs/dbraw/zinc/57/18/32/1067571832.db2.gz LFTZQOXIVLRLFC-DEOSSOPVSA-N 2 1 484.689 4.003 20 0 JIADMP COc1ccc(-c2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2CC[NH+](C(C)C)C(C)C)cc1OC ZINC001300071664 1067594110 /nfs/dbraw/zinc/59/41/10/1067594110.db2.gz VTMKXPGGCSANQN-QFIPXVFZSA-N 2 1 498.716 4.392 20 0 JIADMP C[C@@H](NC(=[NH2+])NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC000849062619 1067791462 /nfs/dbraw/zinc/79/14/62/1067791462.db2.gz WQPPVHZDBCJYCS-MRXNPFEDSA-N 2 1 478.424 4.029 20 0 JIADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@]2(C)c2ccccc2)[C@@H](C)C1 ZINC001353377343 1068070841 /nfs/dbraw/zinc/07/08/41/1068070841.db2.gz WANQXMSPTOESRR-BJBOMGFNSA-N 2 1 477.693 4.330 20 0 JIADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)[C@@H](C)C1 ZINC001353377343 1068070859 /nfs/dbraw/zinc/07/08/59/1068070859.db2.gz WANQXMSPTOESRR-BJBOMGFNSA-N 2 1 477.693 4.330 20 0 JIADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)[C@@H](C)C1 ZINC001353377343 1068070873 /nfs/dbraw/zinc/07/08/73/1068070873.db2.gz WANQXMSPTOESRR-BJBOMGFNSA-N 2 1 477.693 4.330 20 0 JIADMP Cc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001492587342 1069024324 /nfs/dbraw/zinc/02/43/24/1069024324.db2.gz MYYVTVAELIWQHF-HSZRJFAPSA-N 2 1 466.718 4.467 20 0 JIADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000849492995 1069061621 /nfs/dbraw/zinc/06/16/21/1069061621.db2.gz IGARZWUGSJJDDX-NSOVKSMOSA-N 2 1 471.649 4.035 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518234 1069105153 /nfs/dbraw/zinc/10/51/53/1069105153.db2.gz QKYIWPBVRJVKAI-IZZNHLLZSA-N 2 1 494.684 4.077 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)C)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001300610308 1069213593 /nfs/dbraw/zinc/21/35/93/1069213593.db2.gz MTCXJNAPHKVKNX-ZEQRLZLVSA-N 2 1 482.717 4.490 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001300610372 1069214331 /nfs/dbraw/zinc/21/43/31/1069214331.db2.gz NURLMZUVNYAHFA-QFIPXVFZSA-N 2 1 468.690 4.243 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001300610372 1069214352 /nfs/dbraw/zinc/21/43/52/1069214352.db2.gz NURLMZUVNYAHFA-QFIPXVFZSA-N 2 1 468.690 4.243 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001300610870 1069217120 /nfs/dbraw/zinc/21/71/20/1069217120.db2.gz UXXISMWITGGVMX-QFIPXVFZSA-N 2 1 468.690 4.027 20 0 JIADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164614423 719010579 /nfs/dbraw/zinc/01/05/79/719010579.db2.gz FGFKJUVTYAROMX-NFQMXDRXSA-N 2 1 497.709 4.053 20 0 JIADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@H](CF)[C@@H](C5([NH3+])CC5)C4)c32)C1 ZINC001164625943 719123021 /nfs/dbraw/zinc/12/30/21/719123021.db2.gz ZSDBXKCCCMKPLH-AOIWGVFYSA-N 2 1 457.663 4.315 20 0 JIADMP COc1ccc2c[nH+]c(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)cc2c1 ZINC001164681229 719674559 /nfs/dbraw/zinc/67/45/59/719674559.db2.gz KSOLICJHLPKTFK-HSZRJFAPSA-N 2 1 472.633 4.337 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164818514 720170527 /nfs/dbraw/zinc/17/05/27/720170527.db2.gz SYYQMTWWNMCGRA-LVXARBLLSA-N 2 1 471.715 4.335 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164818514 720170537 /nfs/dbraw/zinc/17/05/37/720170537.db2.gz SYYQMTWWNMCGRA-LVXARBLLSA-N 2 1 471.715 4.335 20 0 JIADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4Cc5nccn5C[C@H](C[NH+](C)C)C4)c23)C1 ZINC001164733335 720524707 /nfs/dbraw/zinc/52/47/07/720524707.db2.gz JCGMRCFGDRIAGN-UXHICEINSA-N 2 1 493.725 4.197 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164877033 721145360 /nfs/dbraw/zinc/14/53/60/721145360.db2.gz OETRALBQHGDDIX-FCHUYYIVSA-N 2 1 480.682 4.025 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164877033 721145366 /nfs/dbraw/zinc/14/53/66/721145366.db2.gz OETRALBQHGDDIX-FCHUYYIVSA-N 2 1 480.682 4.025 20 0 JIADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC5(C4)CC[N@H+](CC4CC4)C5)c23)C1 ZINC001164767890 721298658 /nfs/dbraw/zinc/29/86/58/721298658.db2.gz AXACRDAWYNDOCY-SFHVURJKSA-N 2 1 451.684 4.334 20 0 JIADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC5(C4)CC[N@@H+](CC4CC4)C5)c23)C1 ZINC001164767890 721298663 /nfs/dbraw/zinc/29/86/63/721298663.db2.gz AXACRDAWYNDOCY-SFHVURJKSA-N 2 1 451.684 4.334 20 0 JIADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1CC[NH+](Cc1ccccc1)C3)CC2 ZINC001164793004 721494249 /nfs/dbraw/zinc/49/42/49/721494249.db2.gz YMMYWCYHPBNCSW-UHFFFAOYSA-N 2 1 468.649 4.311 20 0 JIADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1CC[NH+](Cc1ccccc1)C3)CC2 ZINC001164793004 721494251 /nfs/dbraw/zinc/49/42/51/721494251.db2.gz YMMYWCYHPBNCSW-UHFFFAOYSA-N 2 1 468.649 4.311 20 0 JIADMP C[NH+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164793004 721494252 /nfs/dbraw/zinc/49/42/52/721494252.db2.gz YMMYWCYHPBNCSW-UHFFFAOYSA-N 2 1 468.649 4.311 20 0 JIADMP C[NH+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164793004 721494253 /nfs/dbraw/zinc/49/42/53/721494253.db2.gz YMMYWCYHPBNCSW-UHFFFAOYSA-N 2 1 468.649 4.311 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164978940 722141882 /nfs/dbraw/zinc/14/18/82/722141882.db2.gz LCLCFRBCERBWMZ-PKTZIBPZSA-N 2 1 494.709 4.272 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164978940 722141885 /nfs/dbraw/zinc/14/18/85/722141885.db2.gz LCLCFRBCERBWMZ-PKTZIBPZSA-N 2 1 494.709 4.272 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[NH+](C(C)C)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001300651863 1069337117 /nfs/dbraw/zinc/33/71/17/1069337117.db2.gz GNGMSWUIRMPVRV-HSZRJFAPSA-N 2 1 484.689 4.051 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCC[NH+]1CCCC[C@H]1C ZINC001300651863 1069337135 /nfs/dbraw/zinc/33/71/35/1069337135.db2.gz GNGMSWUIRMPVRV-HSZRJFAPSA-N 2 1 484.689 4.051 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCC[NH+]1CCCC[C@H]1C ZINC001300651863 1069337154 /nfs/dbraw/zinc/33/71/54/1069337154.db2.gz GNGMSWUIRMPVRV-HSZRJFAPSA-N 2 1 484.689 4.051 20 0 JIADMP COc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001315563397 1064591223 /nfs/dbraw/zinc/59/12/23/1064591223.db2.gz REGWOHVXYFGFQV-AJTFRIOCSA-N 2 1 468.690 4.385 20 0 JIADMP COc1ccccc1-c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001315606197 1064721514 /nfs/dbraw/zinc/72/15/14/1064721514.db2.gz AOORIQLPYZKWKV-JOCHJYFZSA-N 2 1 482.698 4.314 20 0 JIADMP COc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001315630016 1064778881 /nfs/dbraw/zinc/77/88/81/1064778881.db2.gz SOMCWGYIHDNWER-HSZRJFAPSA-N 2 1 482.717 4.166 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001316124822 1065791868 /nfs/dbraw/zinc/79/18/68/1065791868.db2.gz GYRVQKUQEPDPHD-LJQANCHMSA-N 2 1 493.071 4.017 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001316124822 1065791883 /nfs/dbraw/zinc/79/18/83/1065791883.db2.gz GYRVQKUQEPDPHD-LJQANCHMSA-N 2 1 493.071 4.017 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCCCCC2)C[C@@H]1C ZINC001316124717 1065792515 /nfs/dbraw/zinc/79/25/15/1065792515.db2.gz DDIHSHZBNCLHED-IBGZPJMESA-N 2 1 495.499 4.285 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC[NH+](C)C(C)C)C[C@@H]1C ZINC001316125443 1065794931 /nfs/dbraw/zinc/79/49/31/1065794931.db2.gz JVOFWIXTSLBHQP-NRFANRHFSA-N 2 1 488.746 4.163 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC[N@H+](C)C(C)C)C[C@@H]1C ZINC001316125443 1065794946 /nfs/dbraw/zinc/79/49/46/1065794946.db2.gz JVOFWIXTSLBHQP-NRFANRHFSA-N 2 1 488.746 4.163 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC[N@@H+](C)C(C)C)C[C@@H]1C ZINC001316125443 1065794959 /nfs/dbraw/zinc/79/49/59/1065794959.db2.gz JVOFWIXTSLBHQP-NRFANRHFSA-N 2 1 488.746 4.163 20 0 JIADMP Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCC[NH+]2CCC(C)CC2)n1 ZINC001492515755 1066361977 /nfs/dbraw/zinc/36/19/77/1066361977.db2.gz GHZASXRWBWRGST-UHFFFAOYSA-N 2 1 453.679 4.081 20 0 JIADMP Cc1nc(N2CCCCC2)sc1C[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC001338755561 1066570627 /nfs/dbraw/zinc/57/06/27/1066570627.db2.gz JMXUXLNMWWHRPS-UHFFFAOYSA-N 2 1 458.672 4.221 20 0 JIADMP Cc1cccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC001492547136 1066915181 /nfs/dbraw/zinc/91/51/81/1066915181.db2.gz PAZNPPBKVMSFSH-XMMPIXPASA-N 2 1 468.690 4.351 20 0 JIADMP Cc1cccc(-c2nnc(N(C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001492497539 1067338764 /nfs/dbraw/zinc/33/87/64/1067338764.db2.gz ZZSCCUXPXSQOGT-UKILVPOCSA-N 2 1 475.685 4.478 20 0 JIADMP Cc1cccc(-c2nnc(N(C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)n2CC[NH+](C)C(C)C)n1 ZINC001492497539 1067338779 /nfs/dbraw/zinc/33/87/79/1067338779.db2.gz ZZSCCUXPXSQOGT-UKILVPOCSA-N 2 1 475.685 4.478 20 0 JIADMP Cc1cccc(-c2nnc(N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)n2CC[NH+](C)C(C)C)n1 ZINC001492497539 1067338793 /nfs/dbraw/zinc/33/87/93/1067338793.db2.gz ZZSCCUXPXSQOGT-UKILVPOCSA-N 2 1 475.685 4.478 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300062579 1067570186 /nfs/dbraw/zinc/57/01/86/1067570186.db2.gz FBPIRTOYXPOMFL-QHCPKHFHSA-N 2 1 468.690 4.386 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCC[NH+]2CCC[C@H](C)C2)cc1 ZINC001300062579 1067570198 /nfs/dbraw/zinc/57/01/98/1067570198.db2.gz FBPIRTOYXPOMFL-QHCPKHFHSA-N 2 1 468.690 4.386 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCC[NH+]2CCC[C@H](C)C2)cc1 ZINC001300062579 1067570211 /nfs/dbraw/zinc/57/02/11/1067570211.db2.gz FBPIRTOYXPOMFL-QHCPKHFHSA-N 2 1 468.690 4.386 20 0 JIADMP COc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001300292432 1068098945 /nfs/dbraw/zinc/09/89/45/1068098945.db2.gz SPZAIACOUDJKCN-HSZRJFAPSA-N 2 1 484.689 4.051 20 0 JIADMP COc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001300387985 1068494789 /nfs/dbraw/zinc/49/47/89/1068494789.db2.gz GAOKRGPIOKLKOJ-SZPZYZBQSA-N 2 1 468.690 4.242 20 0 JIADMP Cc1ccccc1Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001492587000 1069018879 /nfs/dbraw/zinc/01/88/79/1069018879.db2.gz AUGZFJDXZQXAJW-UHFFFAOYSA-N 2 1 466.699 4.149 20 0 JIADMP CCCN(C(=O)[C@@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000849515854 1069102518 /nfs/dbraw/zinc/10/25/18/1069102518.db2.gz MXHSQJUKSZWOKO-ZONZVBGPSA-N 2 1 465.686 4.137 20 0 JIADMP CCCN(C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000849515854 1069102523 /nfs/dbraw/zinc/10/25/23/1069102523.db2.gz MXHSQJUKSZWOKO-ZONZVBGPSA-N 2 1 465.686 4.137 20 0 JIADMP CCCN(C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000849515854 1069102528 /nfs/dbraw/zinc/10/25/28/1069102528.db2.gz MXHSQJUKSZWOKO-ZONZVBGPSA-N 2 1 465.686 4.137 20 0 JIADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)cn1 ZINC000849518901 1069109075 /nfs/dbraw/zinc/10/90/75/1069109075.db2.gz SUSFGKFHSIOXMJ-SXOMAYOGSA-N 2 1 473.665 4.025 20 0 JIADMP CCC(CC)(CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000849545903 1069181658 /nfs/dbraw/zinc/18/16/58/1069181658.db2.gz YIIFIQVIAVMYTA-GPUOULLFSA-N 2 1 453.675 4.260 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001300610306 1069213629 /nfs/dbraw/zinc/21/36/29/1069213629.db2.gz MTCXJNAPHKVKNX-DNQXCXABSA-N 2 1 482.717 4.490 20 0 JIADMP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849597898 1069254329 /nfs/dbraw/zinc/25/43/29/1069254329.db2.gz WQNCMWYWNRINMZ-MPFGFTFXSA-N 2 1 493.740 4.426 20 0 JIADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849597898 1069254349 /nfs/dbraw/zinc/25/43/49/1069254349.db2.gz WQNCMWYWNRINMZ-MPFGFTFXSA-N 2 1 493.740 4.426 20 0 JIADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849597898 1069254376 /nfs/dbraw/zinc/25/43/76/1069254376.db2.gz WQNCMWYWNRINMZ-MPFGFTFXSA-N 2 1 493.740 4.426 20 0 JIADMP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849611146 1069269796 /nfs/dbraw/zinc/26/97/96/1069269796.db2.gz UGKMSTYXRXDNEK-DQEYMECFSA-N 2 1 474.093 4.258 20 0 JIADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1nc(C[NH+](CC)CC)nc3sc(C)c(C)c31)C2 ZINC001164619339 719010396 /nfs/dbraw/zinc/01/03/96/719010396.db2.gz VSUXAWLOHBIMFO-DCFHFQCYSA-N 2 1 499.725 4.299 20 0 JIADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164613967 719017500 /nfs/dbraw/zinc/01/75/00/719017500.db2.gz AUOPVEVOCXJYHI-BAGYTPMASA-N 2 1 491.661 4.074 20 0 JIADMP Fc1cccc(N(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164650541 719296826 /nfs/dbraw/zinc/29/68/26/719296826.db2.gz IPHPOYHGCOJBTE-YWEHKCAJSA-N 2 1 473.596 4.223 20 0 JIADMP Fc1cccc(N(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164650541 719296828 /nfs/dbraw/zinc/29/68/28/719296828.db2.gz IPHPOYHGCOJBTE-YWEHKCAJSA-N 2 1 473.596 4.223 20 0 JIADMP COc1ccc(-c2cc(C(F)(F)n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c(Cl)nn2)cc1 ZINC001164680403 719652954 /nfs/dbraw/zinc/65/29/54/719652954.db2.gz GLNJHJFYMYBHGK-UHFFFAOYSA-N 2 1 476.959 4.086 20 0 JIADMP COc1ccc(-c2cc(C(F)(F)n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c(Cl)nn2)cc1 ZINC001164680403 719652961 /nfs/dbraw/zinc/65/29/61/719652961.db2.gz GLNJHJFYMYBHGK-UHFFFAOYSA-N 2 1 476.959 4.086 20 0 JIADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(-c3cccc(F)c3)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164682119 719653954 /nfs/dbraw/zinc/65/39/54/719653954.db2.gz SLGCUWFMIRDZOM-UHFFFAOYSA-N 2 1 464.923 4.216 20 0 JIADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(-c3cccc(F)c3)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164682119 719653959 /nfs/dbraw/zinc/65/39/59/719653959.db2.gz SLGCUWFMIRDZOM-UHFFFAOYSA-N 2 1 464.923 4.216 20 0 JIADMP COc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]c2ccccc21 ZINC001164680454 719674284 /nfs/dbraw/zinc/67/42/84/719674284.db2.gz FKFKMQBNIZIHDP-NRFANRHFSA-N 2 1 472.633 4.337 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)n1 ZINC001164690652 719760660 /nfs/dbraw/zinc/76/06/60/719760660.db2.gz GOJKHWXQURHTKP-IQGLISFBSA-N 2 1 484.645 4.343 20 0 JIADMP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164815657 720170305 /nfs/dbraw/zinc/17/03/05/720170305.db2.gz ISDFARGWWSPNBS-PIKZIKFNSA-N 2 1 495.737 4.351 20 0 JIADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164815657 720170306 /nfs/dbraw/zinc/17/03/06/720170306.db2.gz ISDFARGWWSPNBS-PIKZIKFNSA-N 2 1 495.737 4.351 20 0 JIADMP c1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164735119 720440007 /nfs/dbraw/zinc/44/00/07/720440007.db2.gz WEYLMMYGMZDWAI-VXKWHMMOSA-N 2 1 474.678 4.414 20 0 JIADMP c1cncc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164735119 720440016 /nfs/dbraw/zinc/44/00/16/720440016.db2.gz WEYLMMYGMZDWAI-VXKWHMMOSA-N 2 1 474.678 4.414 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164732924 720440141 /nfs/dbraw/zinc/44/01/41/720440141.db2.gz OUUHVCHTBGTWJO-SFTDATJTSA-N 2 1 450.656 4.398 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164732924 720440144 /nfs/dbraw/zinc/44/01/44/720440144.db2.gz OUUHVCHTBGTWJO-SFTDATJTSA-N 2 1 450.656 4.398 20 0 JIADMP c1nc2n(c1C[NH+]1CCCC1)CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164736606 720584530 /nfs/dbraw/zinc/58/45/30/720584530.db2.gz OSUKVBQRSNFTPN-UHFFFAOYSA-N 2 1 491.709 4.021 20 0 JIADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)nc1 ZINC001164845206 720743507 /nfs/dbraw/zinc/74/35/07/720743507.db2.gz XDCVXKGLEALOOT-DEOSSOPVSA-N 2 1 471.653 4.376 20 0 JIADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)CC2 ZINC001164782760 721461473 /nfs/dbraw/zinc/46/14/73/721461473.db2.gz BNUSTDVCKOPCDG-RUZDIDTESA-N 2 1 489.664 4.214 20 0 JIADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)CC2 ZINC001164782760 721461474 /nfs/dbraw/zinc/46/14/74/721461474.db2.gz BNUSTDVCKOPCDG-RUZDIDTESA-N 2 1 489.664 4.214 20 0 JIADMP COc1cc2c[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)cc2cc1OC ZINC001164913851 721726492 /nfs/dbraw/zinc/72/64/92/721726492.db2.gz YYDVNOUBDPTILY-XMMPIXPASA-N 2 1 454.521 4.385 20 0 JIADMP COc1cc2c[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)cc2cc1OC ZINC001164913851 721726497 /nfs/dbraw/zinc/72/64/97/721726497.db2.gz YYDVNOUBDPTILY-XMMPIXPASA-N 2 1 454.521 4.385 20 0 JIADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)C[C@H]21 ZINC001165018944 721809755 /nfs/dbraw/zinc/80/97/55/721809755.db2.gz BBYBSCRMWIDJSA-DANFDKMISA-N 2 1 468.649 4.167 20 0 JIADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)C[C@H]21 ZINC001165018944 721809756 /nfs/dbraw/zinc/80/97/56/721809756.db2.gz BBYBSCRMWIDJSA-DANFDKMISA-N 2 1 468.649 4.167 20 0 JIADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001165018944 721809758 /nfs/dbraw/zinc/80/97/58/721809758.db2.gz BBYBSCRMWIDJSA-DANFDKMISA-N 2 1 468.649 4.167 20 0 JIADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001165018944 721809760 /nfs/dbraw/zinc/80/97/60/721809760.db2.gz BBYBSCRMWIDJSA-DANFDKMISA-N 2 1 468.649 4.167 20 0 JIADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2nc3c(cc2C(=O)NCC2CC2)CC[NH2+]CC3)C(C)C)nc1 ZINC001164998275 722220526 /nfs/dbraw/zinc/22/05/26/722220526.db2.gz IADBXTHEJCWWBM-AREMUKBSSA-N 2 1 490.696 4.398 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[NH+](C(C)C)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001300651865 1069336844 /nfs/dbraw/zinc/33/68/44/1069336844.db2.gz GNGMSWUIRMPVRV-QHCPKHFHSA-N 2 1 484.689 4.051 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCC[NH+]1CCCC[C@@H]1C ZINC001300651865 1069336857 /nfs/dbraw/zinc/33/68/57/1069336857.db2.gz GNGMSWUIRMPVRV-QHCPKHFHSA-N 2 1 484.689 4.051 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCC[NH+]1CCCC[C@@H]1C ZINC001300651865 1069336867 /nfs/dbraw/zinc/33/68/67/1069336867.db2.gz GNGMSWUIRMPVRV-QHCPKHFHSA-N 2 1 484.689 4.051 20 0 JIADMP CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2CCCC[NH+]2CCC[C@@H]2CO)CC1 ZINC001359548008 1069854390 /nfs/dbraw/zinc/85/43/90/1069854390.db2.gz KYXPHLFKQJEAGV-OAQYLSRUSA-N 2 1 489.108 4.146 20 0 JIADMP CC(C)(C)[NH+]1CCCN(c2nnc(-c3ccccc3Cl)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001359548008 1069854394 /nfs/dbraw/zinc/85/43/94/1069854394.db2.gz KYXPHLFKQJEAGV-OAQYLSRUSA-N 2 1 489.108 4.146 20 0 JIADMP CC(C)(C)[NH+]1CCCN(c2nnc(-c3ccccc3Cl)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001359548008 1069854396 /nfs/dbraw/zinc/85/43/96/1069854396.db2.gz KYXPHLFKQJEAGV-OAQYLSRUSA-N 2 1 489.108 4.146 20 0 JIADMP COc1cccc([C@H](C)[NH+]2CCN(c3nnc([C@H]4CCCCO4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001315544249 1064546575 /nfs/dbraw/zinc/54/65/75/1064546575.db2.gz BTHLDAFZJHSMST-GGBSJPMNSA-N 2 1 498.716 4.388 20 0 JIADMP COc1ccccc1-c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CC[N@@H+](C)C(C)C ZINC001315598879 1064703196 /nfs/dbraw/zinc/70/31/96/1064703196.db2.gz MNHACOYDCQBZBK-UHFFFAOYSA-N 2 1 468.690 4.386 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+](C)C(C)C)C[C@@H]1C ZINC001316126160 1065798986 /nfs/dbraw/zinc/79/89/86/1065798986.db2.gz YJUIKHARMQOFKU-SFHVURJKSA-N 2 1 483.488 4.139 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@H+](C)C(C)C)C[C@@H]1C ZINC001316126160 1065799000 /nfs/dbraw/zinc/79/90/00/1065799000.db2.gz YJUIKHARMQOFKU-SFHVURJKSA-N 2 1 483.488 4.139 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@@H+](C)C(C)C)C[C@@H]1C ZINC001316126160 1065799015 /nfs/dbraw/zinc/79/90/15/1065799015.db2.gz YJUIKHARMQOFKU-SFHVURJKSA-N 2 1 483.488 4.139 20 0 JIADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(C)(C)C)n2C[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C[C@H](C)O1 ZINC001316504044 1066473315 /nfs/dbraw/zinc/47/33/15/1066473315.db2.gz GZUZDLKXDGSBPT-OQLXKQOESA-N 2 1 488.746 4.266 20 0 JIADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(C(C)(C)C)n2C[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C[C@H](C)O1 ZINC001316504044 1066473331 /nfs/dbraw/zinc/47/33/31/1066473331.db2.gz GZUZDLKXDGSBPT-OQLXKQOESA-N 2 1 488.746 4.266 20 0 JIADMP C[C@@H]1C[NH+](CCN(C)c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C[C@H](C)O1 ZINC001316504044 1066473345 /nfs/dbraw/zinc/47/33/45/1066473345.db2.gz GZUZDLKXDGSBPT-OQLXKQOESA-N 2 1 488.746 4.266 20 0 JIADMP C[C@@H]1C[NH+](CCN(C)c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C[C@H](C)O1 ZINC001316504044 1066473360 /nfs/dbraw/zinc/47/33/60/1066473360.db2.gz GZUZDLKXDGSBPT-OQLXKQOESA-N 2 1 488.746 4.266 20 0 JIADMP Cc1cccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H]2[NH+](C)CCCC2(C)C)c1 ZINC001492546378 1066773486 /nfs/dbraw/zinc/77/34/86/1066773486.db2.gz VGDOJZRQDPCWMW-XMMPIXPASA-N 2 1 468.690 4.206 20 0 JIADMP Cc1cccc(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001492546378 1066773490 /nfs/dbraw/zinc/77/34/90/1066773490.db2.gz VGDOJZRQDPCWMW-XMMPIXPASA-N 2 1 468.690 4.206 20 0 JIADMP Cc1cccc(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001492546378 1066773507 /nfs/dbraw/zinc/77/35/07/1066773507.db2.gz VGDOJZRQDPCWMW-XMMPIXPASA-N 2 1 468.690 4.206 20 0 JIADMP Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)c1 ZINC001354845024 1067184545 /nfs/dbraw/zinc/18/45/45/1067184545.db2.gz VHKNHDCIXHHKKO-RRPNLBNLSA-N 2 1 470.617 4.349 20 0 JIADMP Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)c1 ZINC001354845024 1067184549 /nfs/dbraw/zinc/18/45/49/1067184549.db2.gz VHKNHDCIXHHKKO-RRPNLBNLSA-N 2 1 470.617 4.349 20 0 JIADMP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001355621912 1067531705 /nfs/dbraw/zinc/53/17/05/1067531705.db2.gz ODOSPUSGFBJSLQ-ZEQKJWHPSA-N 2 1 469.073 4.127 20 0 JIADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001355621912 1067531724 /nfs/dbraw/zinc/53/17/24/1067531724.db2.gz ODOSPUSGFBJSLQ-ZEQKJWHPSA-N 2 1 469.073 4.127 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300062578 1067570391 /nfs/dbraw/zinc/57/03/91/1067570391.db2.gz FBPIRTOYXPOMFL-HSZRJFAPSA-N 2 1 468.690 4.386 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCC[NH+]2CCC[C@@H](C)C2)cc1 ZINC001300062578 1067570406 /nfs/dbraw/zinc/57/04/06/1067570406.db2.gz FBPIRTOYXPOMFL-HSZRJFAPSA-N 2 1 468.690 4.386 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCC[NH+]2CCC[C@@H](C)C2)cc1 ZINC001300062578 1067570425 /nfs/dbraw/zinc/57/04/25/1067570425.db2.gz FBPIRTOYXPOMFL-HSZRJFAPSA-N 2 1 468.690 4.386 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2CC[N@@H+](C)C2CCCCC2)cc1 ZINC001300062727 1067570671 /nfs/dbraw/zinc/57/06/71/1067570671.db2.gz JLKLNZSLLRXVTA-UHFFFAOYSA-N 2 1 454.663 4.139 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC[NH+](C)C2CCCCC2)cc1 ZINC001300062727 1067570694 /nfs/dbraw/zinc/57/06/94/1067570694.db2.gz JLKLNZSLLRXVTA-UHFFFAOYSA-N 2 1 454.663 4.139 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC[NH+](C)C2CCCCC2)cc1 ZINC001300062727 1067570707 /nfs/dbraw/zinc/57/07/07/1067570707.db2.gz JLKLNZSLLRXVTA-UHFFFAOYSA-N 2 1 454.663 4.139 20 0 JIADMP COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCCn2cc[nH+]c2C)cc1OC ZINC001300076424 1067603319 /nfs/dbraw/zinc/60/33/19/1067603319.db2.gz OYKDNBGGJZWACY-UHFFFAOYSA-N 2 1 495.672 4.116 20 0 JIADMP Cc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001492585534 1067828582 /nfs/dbraw/zinc/82/85/82/1067828582.db2.gz IIPIVIPQTZBVSH-UHFFFAOYSA-N 2 1 452.691 4.362 20 0 JIADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)CCC3CCN(c4cc[nH+]cc4)CC3)cc2)C[C@@H](C)O1 ZINC001357822157 1067912653 /nfs/dbraw/zinc/91/26/53/1067912653.db2.gz VKASDPXKGCNSDK-FGZHOGPDSA-N 2 1 450.627 4.070 20 0 JIADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)cc3)cc2)C[C@H](C)O1 ZINC001357903789 1067936186 /nfs/dbraw/zinc/93/61/86/1067936186.db2.gz ACGAHPHUKRBFMW-OYRHEFFESA-N 2 1 450.627 4.079 20 0 JIADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)cc3)cc2)C[C@H](C)O1 ZINC001357903789 1067936219 /nfs/dbraw/zinc/93/62/19/1067936219.db2.gz ACGAHPHUKRBFMW-OYRHEFFESA-N 2 1 450.627 4.079 20 0 JIADMP Cc1ccccc1-c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCC[NH+]1CCCO[C@@H](C)C1 ZINC001492563899 1068046711 /nfs/dbraw/zinc/04/67/11/1068046711.db2.gz PXOQECYVOLMOCH-DEOSSOPVSA-N 2 1 482.717 4.311 20 0 JIADMP Cc1ccccc1-c1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001492563899 1068046734 /nfs/dbraw/zinc/04/67/34/1068046734.db2.gz PXOQECYVOLMOCH-DEOSSOPVSA-N 2 1 482.717 4.311 20 0 JIADMP Cc1ccccc1-c1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001492563899 1068046748 /nfs/dbraw/zinc/04/67/48/1068046748.db2.gz PXOQECYVOLMOCH-DEOSSOPVSA-N 2 1 482.717 4.311 20 0 JIADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@]2(C)c2ccccc2)[C@H](C)C1 ZINC001353377344 1068070775 /nfs/dbraw/zinc/07/07/75/1068070775.db2.gz WANQXMSPTOESRR-FKGPWWPUSA-N 2 1 477.693 4.330 20 0 JIADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)[C@H](C)C1 ZINC001353377344 1068070791 /nfs/dbraw/zinc/07/07/91/1068070791.db2.gz WANQXMSPTOESRR-FKGPWWPUSA-N 2 1 477.693 4.330 20 0 JIADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)[C@H](C)C1 ZINC001353377344 1068070808 /nfs/dbraw/zinc/07/08/08/1068070808.db2.gz WANQXMSPTOESRR-FKGPWWPUSA-N 2 1 477.693 4.330 20 0 JIADMP COc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001300369684 1068417696 /nfs/dbraw/zinc/41/76/96/1068417696.db2.gz ISMSXGSNTMYAAC-UHFFFAOYSA-N 2 1 456.679 4.098 20 0 JIADMP COc1ccccc1-c1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001300485648 1068845012 /nfs/dbraw/zinc/84/50/12/1068845012.db2.gz IRMSSXUNCJJLEF-JOCHJYFZSA-N 2 1 468.690 4.242 20 0 JIADMP COc1ccccc1-c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CC[NH+]1CCC[C@@H](C)C1 ZINC001300485648 1068845015 /nfs/dbraw/zinc/84/50/15/1068845015.db2.gz IRMSSXUNCJJLEF-JOCHJYFZSA-N 2 1 468.690 4.242 20 0 JIADMP COc1ccccc1-c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CC[NH+]1CCC[C@@H](C)C1 ZINC001300485648 1068845022 /nfs/dbraw/zinc/84/50/22/1068845022.db2.gz IRMSSXUNCJJLEF-JOCHJYFZSA-N 2 1 468.690 4.242 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849492108 1069059543 /nfs/dbraw/zinc/05/95/43/1069059543.db2.gz BYHHSUUWHRANPV-IZLXSDGUSA-N 2 1 473.665 4.279 20 0 JIADMP CC(C)[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849526334 1069121164 /nfs/dbraw/zinc/12/11/64/1069121164.db2.gz SDXAKISNQVBELQ-FCHUYYIVSA-N 2 1 492.495 4.322 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849526334 1069121187 /nfs/dbraw/zinc/12/11/87/1069121187.db2.gz SDXAKISNQVBELQ-FCHUYYIVSA-N 2 1 492.495 4.322 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849575305 1069226063 /nfs/dbraw/zinc/22/60/63/1069226063.db2.gz ZYRLKZWRARHFKI-SGIRGMQISA-N 2 1 487.639 4.244 20 0 JIADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cccc(C3CC[NH+](Cc4ccccc4)CC3)c2)cn1 ZINC000849606731 1069264935 /nfs/dbraw/zinc/26/49/35/1069264935.db2.gz RCBCDGLPSXZIIA-WUFINQPMSA-N 2 1 471.649 4.474 20 0 JIADMP c1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)c2c1-c1ccccc1 ZINC001164408934 718863938 /nfs/dbraw/zinc/86/39/38/718863938.db2.gz OAEIZGSMILAMLH-IRLDBZIGSA-N 2 1 463.651 4.159 20 0 JIADMP c1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c2c1-c1ccccc1 ZINC001164408930 718863983 /nfs/dbraw/zinc/86/39/83/718863983.db2.gz OAEIZGSMILAMLH-IFMALSPDSA-N 2 1 463.651 4.159 20 0 JIADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164817532 720168282 /nfs/dbraw/zinc/16/82/82/720168282.db2.gz PSTYKUPICKJPLQ-QFQXNSOFSA-N 2 1 469.699 4.089 20 0 JIADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164817532 720168287 /nfs/dbraw/zinc/16/82/87/720168287.db2.gz PSTYKUPICKJPLQ-QFQXNSOFSA-N 2 1 469.699 4.089 20 0 JIADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164819755 720169245 /nfs/dbraw/zinc/16/92/45/720169245.db2.gz YBFNEFLDAPBACR-WXVAWEFUSA-N 2 1 483.726 4.479 20 0 JIADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164819755 720169251 /nfs/dbraw/zinc/16/92/51/720169251.db2.gz YBFNEFLDAPBACR-WXVAWEFUSA-N 2 1 483.726 4.479 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1C ZINC001164835263 720604573 /nfs/dbraw/zinc/60/45/73/720604573.db2.gz AUYPLEBCKNNZDJ-DNVJHFABSA-N 2 1 493.725 4.478 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1C ZINC001164835263 720604579 /nfs/dbraw/zinc/60/45/79/720604579.db2.gz AUYPLEBCKNNZDJ-DNVJHFABSA-N 2 1 493.725 4.478 20 0 JIADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)C[C@@H]21 ZINC001165018946 721809567 /nfs/dbraw/zinc/80/95/67/721809567.db2.gz BBYBSCRMWIDJSA-PAUTXSKSSA-N 2 1 468.649 4.167 20 0 JIADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)C[C@@H]21 ZINC001165018946 721809569 /nfs/dbraw/zinc/80/95/69/721809569.db2.gz BBYBSCRMWIDJSA-PAUTXSKSSA-N 2 1 468.649 4.167 20 0 JIADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001165018946 721809570 /nfs/dbraw/zinc/80/95/70/721809570.db2.gz BBYBSCRMWIDJSA-PAUTXSKSSA-N 2 1 468.649 4.167 20 0 JIADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001165018946 721809571 /nfs/dbraw/zinc/80/95/71/721809571.db2.gz BBYBSCRMWIDJSA-PAUTXSKSSA-N 2 1 468.649 4.167 20 0 JIADMP COc1ccc(CN(C)c2cc[nH+]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)n2)cc1 ZINC001165027055 721829200 /nfs/dbraw/zinc/82/92/00/721829200.db2.gz RKIWSAAQBBIZJI-DFCKQENNSA-N 2 1 472.637 4.254 20 0 JIADMP COc1ccc(CN(C)c2cc[nH+]c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)n2)cc1 ZINC001165027055 721829201 /nfs/dbraw/zinc/82/92/01/721829201.db2.gz RKIWSAAQBBIZJI-DFCKQENNSA-N 2 1 472.637 4.254 20 0 JIADMP c1ccc(C[N@H+]2CCc3nc(N4CCC5(CC4)COCC[NH+](Cc4ccncc4)C5)ccc3C2)cc1 ZINC001164963827 722054286 /nfs/dbraw/zinc/05/42/86/722054286.db2.gz MSFRAFNDLKIMDX-UHFFFAOYSA-N 2 1 483.660 4.154 20 0 JIADMP c1ccc(C[NH+]2CCc3nc(N4CCC5(CC4)COCC[N@H+](Cc4ccncc4)C5)ccc3C2)cc1 ZINC001164963827 722054287 /nfs/dbraw/zinc/05/42/87/722054287.db2.gz MSFRAFNDLKIMDX-UHFFFAOYSA-N 2 1 483.660 4.154 20 0 JIADMP c1ccc(C[NH+]2CCc3nc(N4CCC5(CC4)COCC[N@@H+](Cc4ccncc4)C5)ccc3C2)cc1 ZINC001164963827 722054288 /nfs/dbraw/zinc/05/42/88/722054288.db2.gz MSFRAFNDLKIMDX-UHFFFAOYSA-N 2 1 483.660 4.154 20 0 JIADMP CC(C)(C)Cc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@H+]1CCc2sccc2C1 ZINC001359536904 1069831281 /nfs/dbraw/zinc/83/12/81/1069831281.db2.gz CEHSGKUUMXGBBS-UHFFFAOYSA-N 2 1 458.720 4.297 20 0 JIADMP CC(C)(C)Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[NH+]1CCc2sccc2C1 ZINC001359536904 1069831283 /nfs/dbraw/zinc/83/12/83/1069831283.db2.gz CEHSGKUUMXGBBS-UHFFFAOYSA-N 2 1 458.720 4.297 20 0 JIADMP CC(C)(C)Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[NH+]1CCc2sccc2C1 ZINC001359536904 1069831284 /nfs/dbraw/zinc/83/12/84/1069831284.db2.gz CEHSGKUUMXGBBS-UHFFFAOYSA-N 2 1 458.720 4.297 20 0 JIADMP CC(C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001359658905 1070261840 /nfs/dbraw/zinc/26/18/40/1070261840.db2.gz LHBNRUDLWJAHGS-OAQYLSRUSA-N 2 1 474.097 4.425 20 0 JIADMP CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC001359685560 1070341675 /nfs/dbraw/zinc/34/16/75/1070341675.db2.gz XAHSBEOYAGJWFV-BIATYSSJSA-N 2 1 482.717 4.248 20 0 JIADMP CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC001359685560 1070341690 /nfs/dbraw/zinc/34/16/90/1070341690.db2.gz XAHSBEOYAGJWFV-BIATYSSJSA-N 2 1 482.717 4.248 20 0 JIADMP CC(C)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359685560 1070341705 /nfs/dbraw/zinc/34/17/05/1070341705.db2.gz XAHSBEOYAGJWFV-BIATYSSJSA-N 2 1 482.717 4.248 20 0 JIADMP CC(C)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001359685560 1070341721 /nfs/dbraw/zinc/34/17/21/1070341721.db2.gz XAHSBEOYAGJWFV-BIATYSSJSA-N 2 1 482.717 4.248 20 0 JIADMP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC(C)C)n3CC[N@@H+]3CCCC(C)(C)C3)CC2)c1 ZINC001315545097 1064549028 /nfs/dbraw/zinc/54/90/28/1064549028.db2.gz KZYJWKYXXPHZFP-QHCPKHFHSA-N 2 1 482.717 4.490 20 0 JIADMP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC(C)C)n3CC[N@H+]3CCCC(C)(C)C3)CC2)c1 ZINC001315545097 1064549039 /nfs/dbraw/zinc/54/90/39/1064549039.db2.gz KZYJWKYXXPHZFP-QHCPKHFHSA-N 2 1 482.717 4.490 20 0 JIADMP COCC[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001316065854 1065703853 /nfs/dbraw/zinc/70/38/53/1065703853.db2.gz QNDOEOFMTDXPRO-UHFFFAOYSA-N 2 1 475.081 4.022 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCCCCC2)C[C@H]1C ZINC001316124718 1065791978 /nfs/dbraw/zinc/79/19/78/1065791978.db2.gz DDIHSHZBNCLHED-LJQANCHMSA-N 2 1 495.499 4.285 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001316124821 1065792220 /nfs/dbraw/zinc/79/22/20/1065792220.db2.gz GYRVQKUQEPDPHD-IBGZPJMESA-N 2 1 493.071 4.017 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001316124821 1065792226 /nfs/dbraw/zinc/79/22/26/1065792226.db2.gz GYRVQKUQEPDPHD-IBGZPJMESA-N 2 1 493.071 4.017 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+](C)C2CCCC2)C[C@@H]1C ZINC001316125568 1065795185 /nfs/dbraw/zinc/79/51/85/1065795185.db2.gz QMWDAHBVQBLKFP-SFHVURJKSA-N 2 1 495.499 4.283 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001316125568 1065795205 /nfs/dbraw/zinc/79/52/05/1065795205.db2.gz QMWDAHBVQBLKFP-SFHVURJKSA-N 2 1 495.499 4.283 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001316125568 1065795229 /nfs/dbraw/zinc/79/52/29/1065795229.db2.gz QMWDAHBVQBLKFP-SFHVURJKSA-N 2 1 495.499 4.283 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001316125902 1065797385 /nfs/dbraw/zinc/79/73/85/1065797385.db2.gz WPECRHSKWCIQMK-QFIPXVFZSA-N 2 1 489.108 4.268 20 0 JIADMP Cc1cccc(OCc2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001492545451 1066735776 /nfs/dbraw/zinc/73/57/76/1066735776.db2.gz BXSXLOOQKZXESL-HSZRJFAPSA-N 2 1 468.690 4.208 20 0 JIADMP Cc1cccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[NH+]2CCC[C@@H](C)C2)c1 ZINC001492545451 1066735790 /nfs/dbraw/zinc/73/57/90/1066735790.db2.gz BXSXLOOQKZXESL-HSZRJFAPSA-N 2 1 468.690 4.208 20 0 JIADMP Cc1cccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC[NH+]2CCC[C@@H](C)C2)c1 ZINC001492545451 1066735802 /nfs/dbraw/zinc/73/58/02/1066735802.db2.gz BXSXLOOQKZXESL-HSZRJFAPSA-N 2 1 468.690 4.208 20 0 JIADMP Cc1cccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H]2[NH+](C)CCCC2(C)C)c1 ZINC001492546377 1066773348 /nfs/dbraw/zinc/77/33/48/1066773348.db2.gz VGDOJZRQDPCWMW-DEOSSOPVSA-N 2 1 468.690 4.206 20 0 JIADMP Cc1cccc(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001492546377 1066773351 /nfs/dbraw/zinc/77/33/51/1066773351.db2.gz VGDOJZRQDPCWMW-DEOSSOPVSA-N 2 1 468.690 4.206 20 0 JIADMP Cc1cccc(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001492546377 1066773356 /nfs/dbraw/zinc/77/33/56/1066773356.db2.gz VGDOJZRQDPCWMW-DEOSSOPVSA-N 2 1 468.690 4.206 20 0 JIADMP Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001492578369 1067211657 /nfs/dbraw/zinc/21/16/57/1067211657.db2.gz HENPZGFLFWHCIJ-OTNCWRBYSA-N 2 1 496.725 4.087 20 0 JIADMP Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001492578369 1067211673 /nfs/dbraw/zinc/21/16/73/1067211673.db2.gz HENPZGFLFWHCIJ-OTNCWRBYSA-N 2 1 496.725 4.087 20 0 JIADMP COC1CC[NH+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001300785136 1067345717 /nfs/dbraw/zinc/34/57/17/1067345717.db2.gz BBYWWHDAUIVVCS-UHFFFAOYSA-N 2 1 496.744 4.263 20 0 JIADMP COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[N@H+]2CCCC(C)(C)C2)cc1OC ZINC001300044933 1067491362 /nfs/dbraw/zinc/49/13/62/1067491362.db2.gz YVJVRKIUANUNCX-UHFFFAOYSA-N 2 1 484.689 4.051 20 0 JIADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001356091315 1067656580 /nfs/dbraw/zinc/65/65/80/1067656580.db2.gz MQCHXYXGJGWKKF-OAQYLSRUSA-N 2 1 456.428 4.052 20 0 JIADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001356091315 1067656597 /nfs/dbraw/zinc/65/65/97/1067656597.db2.gz MQCHXYXGJGWKKF-OAQYLSRUSA-N 2 1 456.428 4.052 20 0 JIADMP COc1ccccc1-c1nnc(N(C)CCN2CCOC(C)(C)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001300475858 1068824423 /nfs/dbraw/zinc/82/44/23/1068824423.db2.gz WWXBMJMUIRSSMR-JOCHJYFZSA-N 2 1 498.716 4.011 20 0 JIADMP COc1ccccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC001300475858 1068824427 /nfs/dbraw/zinc/82/44/27/1068824427.db2.gz WWXBMJMUIRSSMR-JOCHJYFZSA-N 2 1 498.716 4.011 20 0 JIADMP COc1ccccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC001300475858 1068824432 /nfs/dbraw/zinc/82/44/32/1068824432.db2.gz WWXBMJMUIRSSMR-JOCHJYFZSA-N 2 1 498.716 4.011 20 0 JIADMP COc1ccccc1-c1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300475858 1068824435 /nfs/dbraw/zinc/82/44/35/1068824435.db2.gz WWXBMJMUIRSSMR-JOCHJYFZSA-N 2 1 498.716 4.011 20 0 JIADMP COc1ccccc1-c1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001300475858 1068824444 /nfs/dbraw/zinc/82/44/44/1068824444.db2.gz WWXBMJMUIRSSMR-JOCHJYFZSA-N 2 1 498.716 4.011 20 0 JIADMP COc1ccccc1-c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001300506007 1068877467 /nfs/dbraw/zinc/87/74/67/1068877467.db2.gz NADZDPKMZLTTPS-JOCHJYFZSA-N 2 1 468.671 4.239 20 0 JIADMP COc1ccccc1Cc1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCC[NH+](C(C)C)C(C)C ZINC001300548687 1068993436 /nfs/dbraw/zinc/99/34/36/1068993436.db2.gz OBNFWLRODCYOQM-ISKFKSNPSA-N 2 1 468.690 4.059 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300566641 1069058060 /nfs/dbraw/zinc/05/80/60/1069058060.db2.gz DNIXGMCWDJNWNQ-DEOSSOPVSA-N 2 1 482.717 4.166 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001300566641 1069058071 /nfs/dbraw/zinc/05/80/71/1069058071.db2.gz DNIXGMCWDJNWNQ-DEOSSOPVSA-N 2 1 482.717 4.166 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001300566641 1069058079 /nfs/dbraw/zinc/05/80/79/1069058079.db2.gz DNIXGMCWDJNWNQ-DEOSSOPVSA-N 2 1 482.717 4.166 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCCC[NH+]1CCCC1 ZINC001300567201 1069059655 /nfs/dbraw/zinc/05/96/55/1069059655.db2.gz IRQRBXCTWLHYNB-UHFFFAOYSA-N 2 1 482.717 4.454 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[NH+](C(C)C)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001300568577 1069068425 /nfs/dbraw/zinc/06/84/25/1069068425.db2.gz UTCOSZOMFJOWMK-QHCPKHFHSA-N 2 1 468.690 4.063 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCC[NH+]1CCCC[C@@H]1C ZINC001300568577 1069068428 /nfs/dbraw/zinc/06/84/28/1069068428.db2.gz UTCOSZOMFJOWMK-QHCPKHFHSA-N 2 1 468.690 4.063 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCC[NH+]1CCCC[C@@H]1C ZINC001300568577 1069068432 /nfs/dbraw/zinc/06/84/32/1069068432.db2.gz UTCOSZOMFJOWMK-QHCPKHFHSA-N 2 1 468.690 4.063 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001300568714 1069068444 /nfs/dbraw/zinc/06/84/44/1069068444.db2.gz WVYQBYVHUZADJK-UHFFFAOYSA-N 2 1 468.690 4.063 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849505289 1069084560 /nfs/dbraw/zinc/08/45/60/1069084560.db2.gz GVWWNDCKRYKVII-SXOMAYOGSA-N 2 1 465.686 4.315 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849505289 1069084573 /nfs/dbraw/zinc/08/45/73/1069084573.db2.gz GVWWNDCKRYKVII-SXOMAYOGSA-N 2 1 465.686 4.315 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849505289 1069084587 /nfs/dbraw/zinc/08/45/87/1069084587.db2.gz GVWWNDCKRYKVII-SXOMAYOGSA-N 2 1 465.686 4.315 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849523171 1069115803 /nfs/dbraw/zinc/11/58/03/1069115803.db2.gz UTBUUTJFCPWRKF-JWQCQUIFSA-N 2 1 472.077 4.012 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849575306 1069226254 /nfs/dbraw/zinc/22/62/54/1069226254.db2.gz ZYRLKZWRARHFKI-WRALFONMSA-N 2 1 487.639 4.244 20 0 JIADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)n2)CC1 ZINC001164389743 718824780 /nfs/dbraw/zinc/82/47/80/718824780.db2.gz JMSUUBQWZZWJEW-RBUKOAKNSA-N 2 1 469.680 4.219 20 0 JIADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CC[C@H]4[NH2+]CCO[C@H]4C3)n2)CC1 ZINC001164389736 718825029 /nfs/dbraw/zinc/82/50/29/718825029.db2.gz JMSUUBQWZZWJEW-MOPGFXCFSA-N 2 1 469.680 4.219 20 0 JIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C4(CC[C@]3(C(=O)OCC)C2)CC[NH2+]CC4)nc1 ZINC001164616555 719011459 /nfs/dbraw/zinc/01/14/59/719011459.db2.gz LBFVMAYTMHEBEK-KHVXQDHOSA-N 2 1 454.659 4.168 20 0 JIADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)c2c1CC[NH2+]C2 ZINC001164679437 719644673 /nfs/dbraw/zinc/64/46/73/719644673.db2.gz ALHMMTTZEPNAMK-UHFFFAOYSA-N 2 1 451.018 4.347 20 0 JIADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)c2c1CC[NH2+]C2 ZINC001164679437 719644679 /nfs/dbraw/zinc/64/46/79/719644679.db2.gz ALHMMTTZEPNAMK-UHFFFAOYSA-N 2 1 451.018 4.347 20 0 JIADMP COc1ccc2cc[nH+]c(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1 ZINC001164680500 719674454 /nfs/dbraw/zinc/67/44/54/719674454.db2.gz GQKPLQYWYAEWJF-JOCHJYFZSA-N 2 1 472.633 4.337 20 0 JIADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)CC2 ZINC001164714256 720123942 /nfs/dbraw/zinc/12/39/42/720123942.db2.gz BEUPBVYOIUNOFX-VWLOTQADSA-N 2 1 482.632 4.382 20 0 JIADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)CC2 ZINC001164714256 720123950 /nfs/dbraw/zinc/12/39/50/720123950.db2.gz BEUPBVYOIUNOFX-VWLOTQADSA-N 2 1 482.632 4.382 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)n1 ZINC001164760799 721041290 /nfs/dbraw/zinc/04/12/90/721041290.db2.gz DFVWKBPISPNTHD-UHFFFAOYSA-N 2 1 490.681 4.225 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164877034 721144932 /nfs/dbraw/zinc/14/49/32/721144932.db2.gz OETRALBQHGDDIX-FGZHOGPDSA-N 2 1 480.682 4.025 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164877034 721144943 /nfs/dbraw/zinc/14/49/43/721144943.db2.gz OETRALBQHGDDIX-FGZHOGPDSA-N 2 1 480.682 4.025 20 0 JIADMP FC1(F)CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907637 721710138 /nfs/dbraw/zinc/71/01/38/721710138.db2.gz SFBHYJQOFREGHE-HSZRJFAPSA-N 2 1 461.988 4.464 20 0 JIADMP FC1(F)CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907637 721710143 /nfs/dbraw/zinc/71/01/43/721710143.db2.gz SFBHYJQOFREGHE-HSZRJFAPSA-N 2 1 461.988 4.464 20 0 JIADMP COc1ccc(CN(C)c2cc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)n2)cc1 ZINC001165027056 721829245 /nfs/dbraw/zinc/82/92/45/721829245.db2.gz RKIWSAAQBBIZJI-HDYLNDSGSA-N 2 1 472.637 4.254 20 0 JIADMP COc1ccc(CN(C)c2cc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)n2)cc1 ZINC001165027056 721829246 /nfs/dbraw/zinc/82/92/46/721829246.db2.gz RKIWSAAQBBIZJI-HDYLNDSGSA-N 2 1 472.637 4.254 20 0 JIADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164963202 722056955 /nfs/dbraw/zinc/05/69/55/722056955.db2.gz ILKKPLQCYXGTIK-UHFFFAOYSA-N 2 1 486.595 4.133 20 0 JIADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164963202 722056956 /nfs/dbraw/zinc/05/69/56/722056956.db2.gz ILKKPLQCYXGTIK-UHFFFAOYSA-N 2 1 486.595 4.133 20 0 JIADMP COc1cccc([C@H](C)[NH+]2CCN(c3nnc([C@H]4CCCCO4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001315544251 1064546202 /nfs/dbraw/zinc/54/62/02/1064546202.db2.gz BTHLDAFZJHSMST-LLZJGCNPSA-N 2 1 498.716 4.388 20 0 JIADMP COc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001315563399 1064591391 /nfs/dbraw/zinc/59/13/91/1064591391.db2.gz REGWOHVXYFGFQV-AMGIVPHBSA-N 2 1 468.690 4.385 20 0 JIADMP COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001315606240 1064722428 /nfs/dbraw/zinc/72/24/28/1064722428.db2.gz BKRHNLNNFMSSBB-QHCPKHFHSA-N 2 1 468.690 4.244 20 0 JIADMP COc1ccccc1-c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCC[NH+](C(C)C)C(C)C ZINC001315606478 1064722745 /nfs/dbraw/zinc/72/27/45/1064722745.db2.gz HDPQIXJCFXZEFG-QHCPKHFHSA-N 2 1 498.716 4.152 20 0 JIADMP COc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001315630017 1064779041 /nfs/dbraw/zinc/77/90/41/1064779041.db2.gz SOMCWGYIHDNWER-QHCPKHFHSA-N 2 1 482.717 4.166 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001315644205 1064811695 /nfs/dbraw/zinc/81/16/95/1064811695.db2.gz ZVSOUTRUCVYQCS-XMMPIXPASA-N 2 1 482.717 4.318 20 0 JIADMP COc1ccccc1SCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001315662672 1064866695 /nfs/dbraw/zinc/86/66/95/1064866695.db2.gz AKGUHTIRKLALEF-NRFANRHFSA-N 2 1 486.730 4.278 20 0 JIADMP COC1CC[NH+](C(C)(C)Cn2c(N(C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001315706765 1064979203 /nfs/dbraw/zinc/97/92/03/1064979203.db2.gz XJADPSNGWCVBAE-QHCPKHFHSA-N 2 1 482.717 4.176 20 0 JIADMP Cc1cccc(-c2nnc(N3CCC[C@H](C[NH+]4CCCCCC4)C3)n2CCC[N@H+](C)C(C)C)n1 ZINC001492513941 1066354478 /nfs/dbraw/zinc/35/44/78/1066354478.db2.gz MHARECZTZMQVPK-XMMPIXPASA-N 2 1 467.706 4.471 20 0 JIADMP Cc1ccc(-c2cc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)c3cnn(C(C)C)c3n2)s1 ZINC001317973476 1066824753 /nfs/dbraw/zinc/82/47/53/1066824753.db2.gz PIZSHMDDUYJDKD-UHFFFAOYSA-N 2 1 475.622 4.448 20 0 JIADMP Cc1cccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001492547599 1066932390 /nfs/dbraw/zinc/93/23/90/1066932390.db2.gz DKBLZLLGQVVRTN-QHCPKHFHSA-N 2 1 468.690 4.208 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](c2cccs2)[NH+](C)C)cc1OC ZINC001300061932 1067567557 /nfs/dbraw/zinc/56/75/57/1067567557.db2.gz RYEMXCKHUPRVDM-OAQYLSRUSA-N 2 1 498.697 4.247 20 0 JIADMP COc1ccc(CCc2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300122753 1067742428 /nfs/dbraw/zinc/74/24/28/1067742428.db2.gz JBOMITITJCUYNJ-VWLOTQADSA-N 2 1 482.717 4.113 20 0 JIADMP COc1ccc(CCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H]2[NH+](C)CCCC2(C)C)cc1 ZINC001300122753 1067742444 /nfs/dbraw/zinc/74/24/44/1067742444.db2.gz JBOMITITJCUYNJ-VWLOTQADSA-N 2 1 482.717 4.113 20 0 JIADMP COc1ccc(CCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H]2[NH+](C)CCCC2(C)C)cc1 ZINC001300122753 1067742449 /nfs/dbraw/zinc/74/24/49/1067742449.db2.gz JBOMITITJCUYNJ-VWLOTQADSA-N 2 1 482.717 4.113 20 0 JIADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)CCC3CCN(c4cc[nH+]cc4)CC3)cc2)C[C@H](C)O1 ZINC001357822158 1067912378 /nfs/dbraw/zinc/91/23/78/1067912378.db2.gz VKASDPXKGCNSDK-SZPZYZBQSA-N 2 1 450.627 4.070 20 0 JIADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)CCC3CCN(c4cc[nH+]cc4)CC3)cc2)C[C@H](C)O1 ZINC001357822158 1067912399 /nfs/dbraw/zinc/91/23/99/1067912399.db2.gz VKASDPXKGCNSDK-SZPZYZBQSA-N 2 1 450.627 4.070 20 0 JIADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001358030774 1067993689 /nfs/dbraw/zinc/99/36/89/1067993689.db2.gz VGAVMZNWBBYKMF-WHSBFGAESA-N 2 1 466.645 4.303 20 0 JIADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cnc(-c4c(F)cccc4F)s3)c2)C1 ZINC001200346499 1068165544 /nfs/dbraw/zinc/16/55/44/1068165544.db2.gz NVLYDQTZIUNLRH-SFHVURJKSA-N 2 1 456.562 4.075 20 0 JIADMP COc1ccccc1-c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300506008 1068877637 /nfs/dbraw/zinc/87/76/37/1068877637.db2.gz NADZDPKMZLTTPS-QFIPXVFZSA-N 2 1 468.671 4.239 20 0 JIADMP COc1ccccc1Cc1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCC[NH+](C(C)C)C(C)C ZINC001300548688 1068993251 /nfs/dbraw/zinc/99/32/51/1068993251.db2.gz OBNFWLRODCYOQM-LADGPHEKSA-N 2 1 468.690 4.059 20 0 JIADMP CCC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2Cl)CC1 ZINC000849505593 1069087187 /nfs/dbraw/zinc/08/71/87/1069087187.db2.gz IIQDYUISKRRMRR-XZOQPEGZSA-N 2 1 487.092 4.058 20 0 JIADMP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849597899 1069254009 /nfs/dbraw/zinc/25/40/09/1069254009.db2.gz WQNCMWYWNRINMZ-NLDZOOGBSA-N 2 1 493.740 4.426 20 0 JIADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849597899 1069254015 /nfs/dbraw/zinc/25/40/15/1069254015.db2.gz WQNCMWYWNRINMZ-NLDZOOGBSA-N 2 1 493.740 4.426 20 0 JIADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849597899 1069254020 /nfs/dbraw/zinc/25/40/20/1069254020.db2.gz WQNCMWYWNRINMZ-NLDZOOGBSA-N 2 1 493.740 4.426 20 0 JIADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164614409 719010711 /nfs/dbraw/zinc/01/07/11/719010711.db2.gz FGFKJUVTYAROMX-DCFHFQCYSA-N 2 1 497.709 4.053 20 0 JIADMP COc1ccc2c[nH+]c(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)cc2c1 ZINC001164681231 719674356 /nfs/dbraw/zinc/67/43/56/719674356.db2.gz KSOLICJHLPKTFK-QHCPKHFHSA-N 2 1 472.633 4.337 20 0 JIADMP COc1ccc2cc[nH+]c(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1 ZINC001164680502 719674402 /nfs/dbraw/zinc/67/44/02/719674402.db2.gz GQKPLQYWYAEWJF-QFIPXVFZSA-N 2 1 472.633 4.337 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(c3ncccc3F)[C@@H]3CO[C@@]4(CC[NH2+]C4)C3)c2c1C ZINC001164693651 719761315 /nfs/dbraw/zinc/76/13/15/719761315.db2.gz ZDXFRFCGYLXDII-BVZFJXPGSA-N 2 1 482.629 4.097 20 0 JIADMP COCc1nn(-c2nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c32)c2c1C[NH2+]C2 ZINC001164714977 720079567 /nfs/dbraw/zinc/07/95/67/720079567.db2.gz XSSNAHHWVWIMOZ-UHFFFAOYSA-N 2 1 460.607 4.280 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164818517 720170315 /nfs/dbraw/zinc/17/03/15/720170315.db2.gz SYYQMTWWNMCGRA-RLWLMLJZSA-N 2 1 471.715 4.335 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164818517 720170317 /nfs/dbraw/zinc/17/03/17/720170317.db2.gz SYYQMTWWNMCGRA-RLWLMLJZSA-N 2 1 471.715 4.335 20 0 JIADMP Clc1ncc2c(c1N1C[C@@H]3C[N@H+](CC4CC4)C[C@H](C1)O3)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164967200 722074930 /nfs/dbraw/zinc/07/49/30/722074930.db2.gz NPPYWZWSZXUWBJ-ZRZAMGCNSA-N 2 1 495.067 4.056 20 0 JIADMP COc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001315629909 1064778926 /nfs/dbraw/zinc/77/89/26/1064778926.db2.gz QSIZEAPMXXGIND-QFIPXVFZSA-N 2 1 482.717 4.309 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001315656668 1064847922 /nfs/dbraw/zinc/84/79/22/1064847922.db2.gz HTNBSTILRJDMRF-DEOSSOPVSA-N 2 1 498.716 4.297 20 0 JIADMP COc1ccccc1SCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001315662673 1064866745 /nfs/dbraw/zinc/86/67/45/1064866745.db2.gz AKGUHTIRKLALEF-OAQYLSRUSA-N 2 1 486.730 4.278 20 0 JIADMP COc1ccccc1SCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001315664879 1064877040 /nfs/dbraw/zinc/87/70/40/1064877040.db2.gz MUSDGCPNDNOEEJ-UHFFFAOYSA-N 2 1 486.730 4.231 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001316125356 1065793881 /nfs/dbraw/zinc/79/38/81/1065793881.db2.gz NMQKOECDNJLFDO-MOPGFXCFSA-N 2 1 495.499 4.141 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001316125356 1065793901 /nfs/dbraw/zinc/79/39/01/1065793901.db2.gz NMQKOECDNJLFDO-MOPGFXCFSA-N 2 1 495.499 4.141 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001316125356 1065793909 /nfs/dbraw/zinc/79/39/09/1065793909.db2.gz NMQKOECDNJLFDO-MOPGFXCFSA-N 2 1 495.499 4.141 20 0 JIADMP C[C@@H]1C[N@H+](CC2CCN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCCC(C)(C)C3)CC2)C[C@H](C)O1 ZINC001316505176 1066478599 /nfs/dbraw/zinc/47/85/99/1066478599.db2.gz ULXDFOXJADBBJK-ZRZAMGCNSA-N 2 1 488.765 4.314 20 0 JIADMP C[C@@H]1C[NH+](CC2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCCC(C)(C)C3)CC2)C[C@H](C)O1 ZINC001316505176 1066478611 /nfs/dbraw/zinc/47/86/11/1066478611.db2.gz ULXDFOXJADBBJK-ZRZAMGCNSA-N 2 1 488.765 4.314 20 0 JIADMP C[C@@H]1C[NH+](CC2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCCC(C)(C)C3)CC2)C[C@H](C)O1 ZINC001316505176 1066478649 /nfs/dbraw/zinc/47/86/49/1066478649.db2.gz ULXDFOXJADBBJK-ZRZAMGCNSA-N 2 1 488.765 4.314 20 0 JIADMP COC1CC[NH+](C2(Cn3c(N4CCC[N@H+](C(C)(C)C)CC4)nnc3C(C)(C)C)CCCC2)CC1 ZINC001300790563 1067360560 /nfs/dbraw/zinc/36/05/60/1067360560.db2.gz FSAPTMIRDYMDOC-UHFFFAOYSA-N 2 1 474.738 4.310 20 0 JIADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)C1 ZINC001355499624 1067492106 /nfs/dbraw/zinc/49/21/06/1067492106.db2.gz YQPQPDIGAYLGPG-OZNIXHKMSA-N 2 1 463.666 4.170 20 0 JIADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)C1 ZINC001355499623 1067492165 /nfs/dbraw/zinc/49/21/65/1067492165.db2.gz YQPQPDIGAYLGPG-HZFUHODCSA-N 2 1 463.666 4.170 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC001300061585 1067565238 /nfs/dbraw/zinc/56/52/38/1067565238.db2.gz KGQUCICQYWSPHH-JOCHJYFZSA-N 2 1 498.716 4.393 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H]2CCC[NH+](C(C)C)C2)c(OC)c1 ZINC001300061585 1067565267 /nfs/dbraw/zinc/56/52/67/1067565267.db2.gz KGQUCICQYWSPHH-JOCHJYFZSA-N 2 1 498.716 4.393 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H]2CCC[NH+](C(C)C)C2)c(OC)c1 ZINC001300061585 1067565302 /nfs/dbraw/zinc/56/53/02/1067565302.db2.gz KGQUCICQYWSPHH-JOCHJYFZSA-N 2 1 498.716 4.393 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1OC ZINC001300061931 1067567629 /nfs/dbraw/zinc/56/76/29/1067567629.db2.gz RYEMXCKHUPRVDM-NRFANRHFSA-N 2 1 498.697 4.247 20 0 JIADMP COc1ccc(-c2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300070740 1067591457 /nfs/dbraw/zinc/59/14/57/1067591457.db2.gz LEOSUMISMIPTNN-URXFXBBRSA-N 2 1 498.716 4.249 20 0 JIADMP Cc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001492585649 1068125252 /nfs/dbraw/zinc/12/52/52/1068125252.db2.gz LEVMYHOEMLUDCS-QHCPKHFHSA-N 2 1 452.691 4.220 20 0 JIADMP COc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001300506440 1068878717 /nfs/dbraw/zinc/87/87/17/1068878717.db2.gz ACGFMWMKNYJQIK-NRFANRHFSA-N 2 1 468.690 4.385 20 0 JIADMP CC(C)Cn1cc([C@H]2[N@H+](Cc3ccccc3N(C)C3CC[NH+](C)CC3)CC23CCOCC3)cn1 ZINC000849479963 1069049033 /nfs/dbraw/zinc/04/90/33/1069049033.db2.gz ZJSAQIOJKIORIK-HHHXNRCGSA-N 2 1 465.686 4.423 20 0 JIADMP CC(C)Cn1cc([C@H]2[N@@H+](Cc3ccccc3N(C)C3CC[NH+](C)CC3)CC23CCOCC3)cn1 ZINC000849479963 1069049060 /nfs/dbraw/zinc/04/90/60/1069049060.db2.gz ZJSAQIOJKIORIK-HHHXNRCGSA-N 2 1 465.686 4.423 20 0 JIADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccccc1Cl ZINC000849483158 1069051120 /nfs/dbraw/zinc/05/11/20/1069051120.db2.gz FXHVVGWMEZHJJO-BGWNEDDSSA-N 2 1 460.066 4.087 20 0 JIADMP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849524756 1069119401 /nfs/dbraw/zinc/11/94/01/1069119401.db2.gz KFGHQJIPGOJYIM-DSNGMDLFSA-N 2 1 472.077 4.058 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849524756 1069119409 /nfs/dbraw/zinc/11/94/09/1069119409.db2.gz KFGHQJIPGOJYIM-DSNGMDLFSA-N 2 1 472.077 4.058 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849524756 1069119417 /nfs/dbraw/zinc/11/94/17/1069119417.db2.gz KFGHQJIPGOJYIM-DSNGMDLFSA-N 2 1 472.077 4.058 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849524756 1069119425 /nfs/dbraw/zinc/11/94/25/1069119425.db2.gz KFGHQJIPGOJYIM-DSNGMDLFSA-N 2 1 472.077 4.058 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3ccccc3)C3(CCCCC3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849556123 1069202147 /nfs/dbraw/zinc/20/21/47/1069202147.db2.gz VNFSIGHJTIHRLV-RRPNLBNLSA-N 2 1 477.697 4.281 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849556123 1069202171 /nfs/dbraw/zinc/20/21/71/1069202171.db2.gz VNFSIGHJTIHRLV-RRPNLBNLSA-N 2 1 477.697 4.281 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849556123 1069202190 /nfs/dbraw/zinc/20/21/90/1069202190.db2.gz VNFSIGHJTIHRLV-RRPNLBNLSA-N 2 1 477.697 4.281 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001300609656 1069211631 /nfs/dbraw/zinc/21/16/31/1069211631.db2.gz GOSIOFRDNMLLPG-UHFFFAOYSA-N 2 1 468.690 4.171 20 0 JIADMP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849568951 1069220404 /nfs/dbraw/zinc/22/04/04/1069220404.db2.gz QRCHQZAFVVJQSR-VSGBNLITSA-N 2 1 483.660 4.148 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849568951 1069220416 /nfs/dbraw/zinc/22/04/16/1069220416.db2.gz QRCHQZAFVVJQSR-VSGBNLITSA-N 2 1 483.660 4.148 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849574486 1069225182 /nfs/dbraw/zinc/22/51/82/1069225182.db2.gz YJZUIMFLGFOCCX-UIOOFZCWSA-N 2 1 451.659 4.147 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849598852 1069256461 /nfs/dbraw/zinc/25/64/61/1069256461.db2.gz HSDKKWMRJAKRDV-HZFUHODCSA-N 2 1 491.724 4.383 20 0 JIADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cccc(C3CC[NH+](Cc4ccccc4)CC3)c2)cn1 ZINC000849606729 1069264637 /nfs/dbraw/zinc/26/46/37/1069264637.db2.gz RCBCDGLPSXZIIA-VSGBNLITSA-N 2 1 471.649 4.474 20 0 JIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C4(CC[C@@]3(C(=O)OCC)C2)CC[NH2+]CC4)nc1 ZINC001164616550 719011155 /nfs/dbraw/zinc/01/11/55/719011155.db2.gz LBFVMAYTMHEBEK-AZSVPQILSA-N 2 1 454.659 4.168 20 0 JIADMP CC(C)N(c1nc(C[NH+]2CCC(C)CC2)nc2sc3c(c21)CCC3)c1ncnc2c1CC[NH2+]CC2 ZINC001164663549 719344726 /nfs/dbraw/zinc/34/47/26/719344726.db2.gz YBKOUCRGOMYBKR-UHFFFAOYSA-N 2 1 491.709 4.437 20 0 JIADMP Cc1ccc(-c2cc(C(F)(F)n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c(Cl)nn2)cc1 ZINC001164680005 719653801 /nfs/dbraw/zinc/65/38/01/719653801.db2.gz BXULENKFZFYAIL-UHFFFAOYSA-N 2 1 460.960 4.385 20 0 JIADMP Cc1ccc(-c2cc(C(F)(F)n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c(Cl)nn2)cc1 ZINC001164680005 719653811 /nfs/dbraw/zinc/65/38/11/719653811.db2.gz BXULENKFZFYAIL-UHFFFAOYSA-N 2 1 460.960 4.385 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)n1 ZINC001164690649 719760465 /nfs/dbraw/zinc/76/04/65/719760465.db2.gz GOJKHWXQURHTKP-AVRWGWEMSA-N 2 1 484.645 4.343 20 0 JIADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3cc(OC)c(OC)cc31)CC2 ZINC001164716243 720121931 /nfs/dbraw/zinc/12/19/31/720121931.db2.gz JLYYSXIXPMSWOO-QFIPXVFZSA-N 2 1 462.594 4.155 20 0 JIADMP CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837035 720651275 /nfs/dbraw/zinc/65/12/75/720651275.db2.gz AXJTVVFMRFZHSI-IEIRFRATSA-N 2 1 491.030 4.231 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(c2ccc(C)nn2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001164962683 722025338 /nfs/dbraw/zinc/02/53/38/722025338.db2.gz QUMTUFSMEUSQCW-RXFWQSSRSA-N 2 1 495.697 4.298 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(c2ccc(C)nn2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)n1 ZINC001164962682 722025566 /nfs/dbraw/zinc/02/55/66/722025566.db2.gz QUMTUFSMEUSQCW-IBVKSMDESA-N 2 1 495.697 4.298 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164974318 722141328 /nfs/dbraw/zinc/14/13/28/722141328.db2.gz DGJZSOHSWUAQGX-GOTSBHOMSA-N 2 1 492.693 4.026 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164974318 722141332 /nfs/dbraw/zinc/14/13/32/722141332.db2.gz DGJZSOHSWUAQGX-GOTSBHOMSA-N 2 1 492.693 4.026 20 0 JIADMP CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001359548593 1069855748 /nfs/dbraw/zinc/85/57/48/1069855748.db2.gz IDWVZEJWDMPJRE-UHFFFAOYSA-N 2 1 456.654 4.195 20 0 JIADMP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC(C)C)n3CC(C)(C)C[NH+]3CCCC3)CC2)c1 ZINC001315545107 1064548753 /nfs/dbraw/zinc/54/87/53/1064548753.db2.gz LDXRYEXVCGVTRU-QHCPKHFHSA-N 2 1 482.717 4.490 20 0 JIADMP COc1cccc([C@H](Cn2c(C3CCCC3)nnc2N2CCC[N@H+](C(C)C)CC2)[NH+](C)C)c1 ZINC001315545883 1064551611 /nfs/dbraw/zinc/55/16/11/1064551611.db2.gz DTVVGDPDHYVLRR-DEOSSOPVSA-N 2 1 454.663 4.168 20 0 JIADMP COc1cccc([C@@H](Cn2c(C3CCCC3)nnc2N2CCC[N@H+](C(C)C)CC2)[NH+](C)C)c1 ZINC001315545884 1064551858 /nfs/dbraw/zinc/55/18/58/1064551858.db2.gz DTVVGDPDHYVLRR-XMMPIXPASA-N 2 1 454.663 4.168 20 0 JIADMP COc1cccc([C@@H](Cn2c(C)nnc2N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)[NH+](C)C)c1 ZINC001315548192 1064559239 /nfs/dbraw/zinc/55/92/39/1064559239.db2.gz XMTAJZPSUDHNCH-HFZDXXHNSA-N 2 1 468.690 4.379 20 0 JIADMP COc1cccc(OCC[NH+]2CCN(c3nnc(C(C)(C)C)n3CC[C@H](C)[NH+]3CCCCC3)CC2)c1 ZINC001315590091 1064676596 /nfs/dbraw/zinc/67/65/96/1064676596.db2.gz JTGHBPFKPUWHEW-QHCPKHFHSA-N 2 1 498.716 4.050 20 0 JIADMP Cc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCC[NH+]2CCCC[C@H]2C)n1 ZINC001492511760 1066347622 /nfs/dbraw/zinc/34/76/22/1066347622.db2.gz IQZTVKOZPKTTMV-HSZRJFAPSA-N 2 1 467.706 4.470 20 0 JIADMP Cc1cccc(-c2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2CCC[N@@H+]2CCCC[C@H]2C)n1 ZINC001492511760 1066347640 /nfs/dbraw/zinc/34/76/40/1066347640.db2.gz IQZTVKOZPKTTMV-HSZRJFAPSA-N 2 1 467.706 4.470 20 0 JIADMP Cc1cccc(-c2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2CCC[N@H+]2CCCC[C@H]2C)n1 ZINC001492511760 1066347662 /nfs/dbraw/zinc/34/76/62/1066347662.db2.gz IQZTVKOZPKTTMV-HSZRJFAPSA-N 2 1 467.706 4.470 20 0 JIADMP CCCN(C(=O)NCc1ccccc1N1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001338577083 1066565081 /nfs/dbraw/zinc/56/50/81/1066565081.db2.gz DTWAXZNHXOMGMB-AREMUKBSSA-N 2 1 463.670 4.025 20 0 JIADMP COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC001300043658 1067483489 /nfs/dbraw/zinc/48/34/89/1067483489.db2.gz HUYGLCBSFSFOHU-NRFANRHFSA-N 2 1 454.663 4.185 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1OC ZINC001300061554 1067565389 /nfs/dbraw/zinc/56/53/89/1067565389.db2.gz IZEQOURTDHQTBX-UHFFFAOYSA-N 2 1 484.689 4.147 20 0 JIADMP C[C@H](c1ccc(NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC001200123105 1067687055 /nfs/dbraw/zinc/68/70/55/1067687055.db2.gz XWDYHHRXIDAEAV-SRCYTUNASA-N 2 1 450.627 4.358 20 0 JIADMP C[C@H](c1ccc(NC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC001200123105 1067687063 /nfs/dbraw/zinc/68/70/63/1067687063.db2.gz XWDYHHRXIDAEAV-SRCYTUNASA-N 2 1 450.627 4.358 20 0 JIADMP COc1ccc(CCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300126421 1067753669 /nfs/dbraw/zinc/75/36/69/1067753669.db2.gz NLKILJQYLBPCLD-PKTZIBPZSA-N 2 1 482.717 4.113 20 0 JIADMP COc1ccc(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC001300288616 1068089817 /nfs/dbraw/zinc/08/98/17/1068089817.db2.gz BDBWUEXBORPBDS-HSZRJFAPSA-N 2 1 484.689 4.051 20 0 JIADMP COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCC[NH+]2CCCC[C@H]2C)cc1 ZINC001300288616 1068089834 /nfs/dbraw/zinc/08/98/34/1068089834.db2.gz BDBWUEXBORPBDS-HSZRJFAPSA-N 2 1 484.689 4.051 20 0 JIADMP COc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCC[NH+]2CCCC[C@H]2C)cc1 ZINC001300288616 1068089848 /nfs/dbraw/zinc/08/98/48/1068089848.db2.gz BDBWUEXBORPBDS-HSZRJFAPSA-N 2 1 484.689 4.051 20 0 JIADMP COc1ccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001300292330 1068098295 /nfs/dbraw/zinc/09/82/95/1068098295.db2.gz RNFVNRHMNURHFE-UHFFFAOYSA-N 2 1 486.705 4.295 20 0 JIADMP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(C(C)C)n3CC(C)(C)[NH+]3CCC(OC)CC3)CC2)c1 ZINC001300333252 1068289141 /nfs/dbraw/zinc/28/91/41/1068289141.db2.gz QTDWCXKRJKJKCK-JOCHJYFZSA-N 2 1 498.716 4.183 20 0 JIADMP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCC3)CC2)c1 ZINC001300334936 1068304506 /nfs/dbraw/zinc/30/45/06/1068304506.db2.gz LAANQRPUTGNOSL-NRFANRHFSA-N 2 1 468.690 4.243 20 0 JIADMP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC(C)C)n3CC[NH+]3CCC(C)CC3)CC2)c1 ZINC001300335213 1068305824 /nfs/dbraw/zinc/30/58/24/1068305824.db2.gz OCQQAEAMSFZLIH-QHCPKHFHSA-N 2 1 468.690 4.100 20 0 JIADMP COc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001300506443 1068878613 /nfs/dbraw/zinc/87/86/13/1068878613.db2.gz ACGFMWMKNYJQIK-OAQYLSRUSA-N 2 1 468.690 4.385 20 0 JIADMP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849482606 1069051930 /nfs/dbraw/zinc/05/19/30/1069051930.db2.gz RWYAJEVUZJTIKJ-VSGBNLITSA-N 2 1 485.676 4.168 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849482606 1069051934 /nfs/dbraw/zinc/05/19/34/1069051934.db2.gz RWYAJEVUZJTIKJ-VSGBNLITSA-N 2 1 485.676 4.168 20 0 JIADMP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H](c2ccccc2)[NH+]2CCc3sccc3C2)[C@H](c2cnn(C)c2)C1 ZINC000849500374 1069072160 /nfs/dbraw/zinc/07/21/60/1069072160.db2.gz HSYBYZRNIBKPQQ-GSDHBNRESA-N 2 1 491.705 4.211 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H](c2ccccc2)[NH+]2CCc3sccc3C2)[C@H](c2cnn(C)c2)C1 ZINC000849500374 1069072163 /nfs/dbraw/zinc/07/21/63/1069072163.db2.gz HSYBYZRNIBKPQQ-GSDHBNRESA-N 2 1 491.705 4.211 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)[C@H](c2cnn(C)c2)C1 ZINC000849500374 1069072166 /nfs/dbraw/zinc/07/21/66/1069072166.db2.gz HSYBYZRNIBKPQQ-GSDHBNRESA-N 2 1 491.705 4.211 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)[C@H](c2cnn(C)c2)C1 ZINC000849500374 1069072171 /nfs/dbraw/zinc/07/21/71/1069072171.db2.gz HSYBYZRNIBKPQQ-GSDHBNRESA-N 2 1 491.705 4.211 20 0 JIADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)cn1 ZINC000849518897 1069109033 /nfs/dbraw/zinc/10/90/33/1069109033.db2.gz SUSFGKFHSIOXMJ-KAYWLYCHSA-N 2 1 473.665 4.025 20 0 JIADMP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)ccc21 ZINC000849518743 1069110241 /nfs/dbraw/zinc/11/02/41/1069110241.db2.gz OXGDTLAQEPEDSY-DQEYMECFSA-N 2 1 464.658 4.169 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849523170 1069115888 /nfs/dbraw/zinc/11/58/88/1069115888.db2.gz UTBUUTJFCPWRKF-DQEYMECFSA-N 2 1 472.077 4.012 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849523173 1069115958 /nfs/dbraw/zinc/11/59/58/1069115958.db2.gz UTBUUTJFCPWRKF-RPBOFIJWSA-N 2 1 472.077 4.012 20 0 JIADMP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849568952 1069220495 /nfs/dbraw/zinc/22/04/95/1069220495.db2.gz QRCHQZAFVVJQSR-WUFINQPMSA-N 2 1 483.660 4.148 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849568952 1069220510 /nfs/dbraw/zinc/22/05/10/1069220510.db2.gz QRCHQZAFVVJQSR-WUFINQPMSA-N 2 1 483.660 4.148 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849575303 1069226443 /nfs/dbraw/zinc/22/64/43/1069226443.db2.gz ZYRLKZWRARHFKI-HWBMXIPRSA-N 2 1 487.639 4.244 20 0 JIADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C(C)C)C[C@@H]2c2cnn(C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000849578897 1069230442 /nfs/dbraw/zinc/23/04/42/1069230442.db2.gz YFNPUELZSQXPJN-ZNDGRNAPSA-N 2 1 490.067 4.367 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C(C)C)C[C@@H]2c2cnn(C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000849578897 1069230456 /nfs/dbraw/zinc/23/04/56/1069230456.db2.gz YFNPUELZSQXPJN-ZNDGRNAPSA-N 2 1 490.067 4.367 20 0 JIADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000849578897 1069230468 /nfs/dbraw/zinc/23/04/68/1069230468.db2.gz YFNPUELZSQXPJN-ZNDGRNAPSA-N 2 1 490.067 4.367 20 0 JIADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000849578897 1069230486 /nfs/dbraw/zinc/23/04/86/1069230486.db2.gz YFNPUELZSQXPJN-ZNDGRNAPSA-N 2 1 490.067 4.367 20 0 JIADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000849592013 1069244837 /nfs/dbraw/zinc/24/48/37/1069244837.db2.gz MFYKIAIHGALLCX-TZRRMPRUSA-N 2 1 460.066 4.087 20 0 JIADMP CCC[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000849592013 1069244853 /nfs/dbraw/zinc/24/48/53/1069244853.db2.gz MFYKIAIHGALLCX-TZRRMPRUSA-N 2 1 460.066 4.087 20 0 JIADMP CCC[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000849592013 1069244867 /nfs/dbraw/zinc/24/48/67/1069244867.db2.gz MFYKIAIHGALLCX-TZRRMPRUSA-N 2 1 460.066 4.087 20 0 JIADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)n2)CC1 ZINC001164405014 718864383 /nfs/dbraw/zinc/86/43/83/718864383.db2.gz CEAJDZWNVOZKII-QUCCMNQESA-N 2 1 483.707 4.466 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N(c3ncnc4c3CC[NH2+]CC4)C(C)C)c2c1C ZINC001164659750 719344853 /nfs/dbraw/zinc/34/48/53/719344853.db2.gz DVMJKLRCZARUAO-UHFFFAOYSA-N 2 1 465.671 4.319 20 0 JIADMP CC(C)N(c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@@H](C)C3)c1ncnc2c1CC[NH2+]CC2 ZINC001164660674 719345086 /nfs/dbraw/zinc/34/50/86/719345086.db2.gz JTFIFJYILRNGFJ-GOSISDBHSA-N 2 1 491.709 4.437 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(c2ncnc3c2CC[NH2+]CC3)C(C)C)n1 ZINC001164659123 719345101 /nfs/dbraw/zinc/34/51/01/719345101.db2.gz AELAEOQOEGRKAS-UHFFFAOYSA-N 2 1 453.660 4.175 20 0 JIADMP CC(C)n1ccc2c1nc[nH+]c2N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680365 719676329 /nfs/dbraw/zinc/67/63/29/719676329.db2.gz DCECLHAINNDIOW-OAQYLSRUSA-N 2 1 474.653 4.106 20 0 JIADMP COc1ccc(CN(C)c2cc[nH+]c(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)n2)cc1 ZINC001164840322 720724060 /nfs/dbraw/zinc/72/40/60/720724060.db2.gz PDYGGZYOYRXQEO-RUZDIDTESA-N 2 1 487.648 4.382 20 0 JIADMP COc1ccc(CN(C)c2cc[nH+]c(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)n2)cc1 ZINC001164840322 720724067 /nfs/dbraw/zinc/72/40/67/720724067.db2.gz PDYGGZYOYRXQEO-RUZDIDTESA-N 2 1 487.648 4.382 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164877035 721144251 /nfs/dbraw/zinc/14/42/51/721144251.db2.gz OETRALBQHGDDIX-VXKWHMMOSA-N 2 1 480.682 4.025 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164877035 721144254 /nfs/dbraw/zinc/14/42/54/721144254.db2.gz OETRALBQHGDDIX-VXKWHMMOSA-N 2 1 480.682 4.025 20 0 JIADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CC5(C3)CC[N@H+](CC3CC3)C5)n2)CCC4)CC1 ZINC001164770424 721297355 /nfs/dbraw/zinc/29/73/55/721297355.db2.gz RYUYUBDFNBGPOJ-UHFFFAOYSA-N 2 1 451.684 4.334 20 0 JIADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CC5(C3)CC[N@@H+](CC3CC3)C5)n2)CCC4)CC1 ZINC001164770424 721297360 /nfs/dbraw/zinc/29/73/60/721297360.db2.gz RYUYUBDFNBGPOJ-UHFFFAOYSA-N 2 1 451.684 4.334 20 0 JIADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164788618 721461495 /nfs/dbraw/zinc/46/14/95/721461495.db2.gz UTHGNKZXRCUPNM-QHCPKHFHSA-N 2 1 477.093 4.065 20 0 JIADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164788618 721461497 /nfs/dbraw/zinc/46/14/97/721461497.db2.gz UTHGNKZXRCUPNM-QHCPKHFHSA-N 2 1 477.093 4.065 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001300651965 1069337782 /nfs/dbraw/zinc/33/77/82/1069337782.db2.gz HRUGLYAVFKCNIT-QHCPKHFHSA-N 2 1 498.716 4.441 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCC[NH+]1CCCC[C@@H]1C ZINC001300651965 1069337800 /nfs/dbraw/zinc/33/78/00/1069337800.db2.gz HRUGLYAVFKCNIT-QHCPKHFHSA-N 2 1 498.716 4.441 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCC[NH+]1CCCC[C@@H]1C ZINC001300651965 1069337818 /nfs/dbraw/zinc/33/78/18/1069337818.db2.gz HRUGLYAVFKCNIT-QHCPKHFHSA-N 2 1 498.716 4.441 20 0 JIADMP COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001315606436 1064722338 /nfs/dbraw/zinc/72/23/38/1064722338.db2.gz FHSWWNFYBXTLLK-QHCPKHFHSA-N 2 1 468.690 4.100 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001315625819 1064768504 /nfs/dbraw/zinc/76/85/04/1064768504.db2.gz XLKMUOANMUJBMF-QHCPKHFHSA-N 2 1 470.706 4.164 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001315642996 1064809045 /nfs/dbraw/zinc/80/90/45/1064809045.db2.gz KBPSACWUZBAZGK-YADHBBJMSA-N 2 1 468.690 4.027 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001315642996 1064809053 /nfs/dbraw/zinc/80/90/53/1064809053.db2.gz KBPSACWUZBAZGK-YADHBBJMSA-N 2 1 468.690 4.027 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001315656727 1064847907 /nfs/dbraw/zinc/84/79/07/1064847907.db2.gz HTNBSTILRJDMRF-XMMPIXPASA-N 2 1 498.716 4.297 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001316125692 1065797843 /nfs/dbraw/zinc/79/78/43/1065797843.db2.gz NMVALRFKGPDFCG-QHCPKHFHSA-N 2 1 482.717 4.276 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001316129773 1065801638 /nfs/dbraw/zinc/80/16/38/1065801638.db2.gz RQTPPZABSIBMFE-GIFXNVAJSA-N 2 1 482.717 4.169 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001316129773 1065801641 /nfs/dbraw/zinc/80/16/41/1065801641.db2.gz RQTPPZABSIBMFE-GIFXNVAJSA-N 2 1 482.717 4.169 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001316129773 1065801643 /nfs/dbraw/zinc/80/16/43/1065801643.db2.gz RQTPPZABSIBMFE-GIFXNVAJSA-N 2 1 482.717 4.169 20 0 JIADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)CC2)cc1 ZINC001337480245 1066485205 /nfs/dbraw/zinc/48/52/05/1066485205.db2.gz DLRIQHQPIDSKEP-DNQXCXABSA-N 2 1 464.654 4.022 20 0 JIADMP Cc1cccc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@@H](C)[N@H+]3CCC[C@H](C)C3)CC2)c1 ZINC001492534645 1066581776 /nfs/dbraw/zinc/58/17/76/1066581776.db2.gz JGIKHEYSEYGMMR-BJKOFHAPSA-N 2 1 452.691 4.228 20 0 JIADMP COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)N1CC[NH+](C(C)(C)C)CC1)CC2 ZINC001318018309 1066854289 /nfs/dbraw/zinc/85/42/89/1066854289.db2.gz PLMUYOIOQKKSFR-UHFFFAOYSA-N 2 1 466.626 4.210 20 0 JIADMP COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)N1CC[NH+](C(C)(C)C)CC1)CC2 ZINC001318018309 1066854291 /nfs/dbraw/zinc/85/42/91/1066854291.db2.gz PLMUYOIOQKKSFR-UHFFFAOYSA-N 2 1 466.626 4.210 20 0 JIADMP Cc1cccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001492547135 1066915141 /nfs/dbraw/zinc/91/51/41/1066915141.db2.gz PAZNPPBKVMSFSH-DEOSSOPVSA-N 2 1 468.690 4.351 20 0 JIADMP COc1cc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)ccc1OCc1cccs1 ZINC001318347616 1067027276 /nfs/dbraw/zinc/02/72/76/1067027276.db2.gz ABCQRUGSBJKQEN-UHFFFAOYSA-N 2 1 451.636 4.373 20 0 JIADMP Cc1cccc(-c2nnc(N(C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001492497538 1067338965 /nfs/dbraw/zinc/33/89/65/1067338965.db2.gz ZZSCCUXPXSQOGT-NOZRDPDXSA-N 2 1 475.685 4.478 20 0 JIADMP Cc1cccc(-c2nnc(N(C)[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)n2CC[NH+](C)C(C)C)n1 ZINC001492497538 1067338971 /nfs/dbraw/zinc/33/89/71/1067338971.db2.gz ZZSCCUXPXSQOGT-NOZRDPDXSA-N 2 1 475.685 4.478 20 0 JIADMP Cc1cccc(-c2nnc(N(C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)n2CC[NH+](C)C(C)C)n1 ZINC001492497538 1067338984 /nfs/dbraw/zinc/33/89/84/1067338984.db2.gz ZZSCCUXPXSQOGT-NOZRDPDXSA-N 2 1 475.685 4.478 20 0 JIADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)CC1 ZINC001355686733 1067550594 /nfs/dbraw/zinc/55/05/94/1067550594.db2.gz KFKDIQXXUYLYKS-UHFFFAOYSA-N 2 1 450.970 4.247 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC001300061439 1067564634 /nfs/dbraw/zinc/56/46/34/1067564634.db2.gz HROYIFIOGGJEAV-QFIPXVFZSA-N 2 1 484.689 4.003 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H]2CCC[NH+](C(C)C)C2)c(OC)c1 ZINC001300061439 1067564653 /nfs/dbraw/zinc/56/46/53/1067564653.db2.gz HROYIFIOGGJEAV-QFIPXVFZSA-N 2 1 484.689 4.003 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H]2CCC[NH+](C(C)C)C2)c(OC)c1 ZINC001300061439 1067564675 /nfs/dbraw/zinc/56/46/75/1067564675.db2.gz HROYIFIOGGJEAV-QFIPXVFZSA-N 2 1 484.689 4.003 20 0 JIADMP C[C@H](c1ccc(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC001200123111 1067687126 /nfs/dbraw/zinc/68/71/26/1067687126.db2.gz XWDYHHRXIDAEAV-YPAWHYETSA-N 2 1 450.627 4.358 20 0 JIADMP C[C@H]1C[C@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001356500727 1067765177 /nfs/dbraw/zinc/76/51/77/1067765177.db2.gz FKQJOJCZOLDALY-UPVQGACJSA-N 2 1 459.638 4.142 20 0 JIADMP Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492560282 1067948504 /nfs/dbraw/zinc/94/85/04/1067948504.db2.gz UEGXKERJWCXHGZ-DHIUTWEWSA-N 2 1 482.717 4.169 20 0 JIADMP Cc1ccccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001492560282 1067948536 /nfs/dbraw/zinc/94/85/36/1067948536.db2.gz UEGXKERJWCXHGZ-DHIUTWEWSA-N 2 1 482.717 4.169 20 0 JIADMP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C(C)C)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001300332655 1068285035 /nfs/dbraw/zinc/28/50/35/1068285035.db2.gz MWTGRESRDBLFEH-JTHBVZDNSA-N 2 1 456.679 4.270 20 0 JIADMP CC(C)Cn1cc([C@H]2[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CC23CCOCC3)cn1 ZINC000849477624 1069047081 /nfs/dbraw/zinc/04/70/81/1069047081.db2.gz AEOXPXBBYFEMSY-AREMUKBSSA-N 2 1 452.643 4.367 20 0 JIADMP CC(C)Cn1cc([C@H]2[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CC23CCOCC3)cn1 ZINC000849477624 1069047093 /nfs/dbraw/zinc/04/70/93/1069047093.db2.gz AEOXPXBBYFEMSY-AREMUKBSSA-N 2 1 452.643 4.367 20 0 JIADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccc(C(F)(F)F)cc1 ZINC000849507858 1069089909 /nfs/dbraw/zinc/08/99/09/1069089909.db2.gz FXIIYNAPGPEWRM-TZRRMPRUSA-N 2 1 493.618 4.452 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001300610694 1069216126 /nfs/dbraw/zinc/21/61/26/1069216126.db2.gz RITLNGOKRNUNHO-NRFANRHFSA-N 2 1 468.671 4.097 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849606012 1069262229 /nfs/dbraw/zinc/26/22/29/1069262229.db2.gz LGILVDSJRPZLFP-DNQXCXABSA-N 2 1 455.672 4.061 20 0 JIADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1nc(C[NH+](CC)CC)nc3sc(C)c(C)c31)C2 ZINC001164619345 719010685 /nfs/dbraw/zinc/01/06/85/719010685.db2.gz VSUXAWLOHBIMFO-NFQMXDRXSA-N 2 1 499.725 4.299 20 0 JIADMP Fc1cccc(N(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164650539 719296400 /nfs/dbraw/zinc/29/64/00/719296400.db2.gz IPHPOYHGCOJBTE-UFHPHHKVSA-N 2 1 473.596 4.223 20 0 JIADMP Fc1cccc(N(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164650539 719296403 /nfs/dbraw/zinc/29/64/03/719296403.db2.gz IPHPOYHGCOJBTE-UFHPHHKVSA-N 2 1 473.596 4.223 20 0 JIADMP COc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]c2ccccc21 ZINC001164680455 719674603 /nfs/dbraw/zinc/67/46/03/719674603.db2.gz FKFKMQBNIZIHDP-OAQYLSRUSA-N 2 1 472.633 4.337 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(c3ncccc3F)[C@H]3CO[C@]4(CC[NH2+]C4)C3)c2c1C ZINC001164693655 719760986 /nfs/dbraw/zinc/76/09/86/719760986.db2.gz ZDXFRFCGYLXDII-IQGLISFBSA-N 2 1 482.629 4.097 20 0 JIADMP COCc1nn(-c2nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c32)c2c1C[NH2+]C2 ZINC001164714953 720078690 /nfs/dbraw/zinc/07/86/90/720078690.db2.gz XQBMKEQNSKHNCE-UHFFFAOYSA-N 2 1 466.636 4.341 20 0 JIADMP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164817790 720168317 /nfs/dbraw/zinc/16/83/17/720168317.db2.gz QFWUGDDCAYONRY-PIKZIKFNSA-N 2 1 495.737 4.351 20 0 JIADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164817790 720168319 /nfs/dbraw/zinc/16/83/19/720168319.db2.gz QFWUGDDCAYONRY-PIKZIKFNSA-N 2 1 495.737 4.351 20 0 JIADMP CC(C)[N@H+]1[C@@H]2CCN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838020 720554484 /nfs/dbraw/zinc/55/44/84/720554484.db2.gz NIRHQFJNLTZQKP-UMXIMWEHSA-N 2 1 473.600 4.193 20 0 JIADMP CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838020 720554489 /nfs/dbraw/zinc/55/44/89/720554489.db2.gz NIRHQFJNLTZQKP-UMXIMWEHSA-N 2 1 473.600 4.193 20 0 JIADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754386 720903951 /nfs/dbraw/zinc/90/39/51/720903951.db2.gz ITNAJAFKVVMDBF-KCWPFWIISA-N 2 1 460.626 4.162 20 0 JIADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754386 720903970 /nfs/dbraw/zinc/90/39/70/720903970.db2.gz ITNAJAFKVVMDBF-KCWPFWIISA-N 2 1 460.626 4.162 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(c2ccc(C)nn2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)n1 ZINC001164962680 722025259 /nfs/dbraw/zinc/02/52/59/722025259.db2.gz QUMTUFSMEUSQCW-FNZWTVRRSA-N 2 1 495.697 4.298 20 0 JIADMP COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CCC[N@H+](C3CCCC3)CC2)[NH+](C)C)c1 ZINC001315547220 1064556260 /nfs/dbraw/zinc/55/62/60/1064556260.db2.gz OKRVSKJBDLCFCN-RUZDIDTESA-N 2 1 468.690 4.243 20 0 JIADMP COc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001315563176 1064590850 /nfs/dbraw/zinc/59/08/50/1064590850.db2.gz LWUQEJJKAALZEX-SZPZYZBQSA-N 2 1 468.690 4.241 20 0 JIADMP COc1ccccc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001315604069 1064716168 /nfs/dbraw/zinc/71/61/68/1064716168.db2.gz FWYTVPAWPPCAOX-UHFFFAOYSA-N 2 1 454.663 4.139 20 0 JIADMP COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001315606435 1064722132 /nfs/dbraw/zinc/72/21/32/1064722132.db2.gz FHSWWNFYBXTLLK-HSZRJFAPSA-N 2 1 468.690 4.100 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCCCC2)CC1 ZINC001315643500 1064809023 /nfs/dbraw/zinc/80/90/23/1064809023.db2.gz PMOOIRKONWEXFH-UHFFFAOYSA-N 2 1 468.690 4.074 20 0 JIADMP COCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001316069058 1065708234 /nfs/dbraw/zinc/70/82/34/1065708234.db2.gz AZVUCPMSXIYJNL-QFIPXVFZSA-N 2 1 489.108 4.125 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C[C@H]1C ZINC001316133767 1065802339 /nfs/dbraw/zinc/80/23/39/1065802339.db2.gz PVZYPHPGLAJSQF-ILBGXUMGSA-N 2 1 482.717 4.169 20 0 JIADMP CSC1(Cn2c(C(C)C)nnc2N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)CC[NH+](C)CC1 ZINC001316397314 1066174965 /nfs/dbraw/zinc/17/49/65/1066174965.db2.gz DABFGVGVCMZLKW-QFIPXVFZSA-N 2 1 470.731 4.330 20 0 JIADMP C[C@@H]1C[N@H+](CC2CCN(c3nnc(C(C)(C)C)n3C[C@H](c3ccsc3)[NH+](C)C)CC2)C[C@H](C)O1 ZINC001316503735 1066471641 /nfs/dbraw/zinc/47/16/41/1066471641.db2.gz DMZWZOUCOYKLKQ-ZRCGQRJVSA-N 2 1 488.746 4.266 20 0 JIADMP Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)ccc1N1CC[NH+](C)CC1 ZINC001317845616 1066728451 /nfs/dbraw/zinc/72/84/51/1066728451.db2.gz IKKFIMCDSGDECM-UHFFFAOYSA-N 2 1 456.034 4.140 20 0 JIADMP Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)ccc1N1CC[NH+](C)CC1 ZINC001317845616 1066728456 /nfs/dbraw/zinc/72/84/56/1066728456.db2.gz IKKFIMCDSGDECM-UHFFFAOYSA-N 2 1 456.034 4.140 20 0 JIADMP COc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)[NH+]2CCCC2)cc1 ZINC001317866234 1066741320 /nfs/dbraw/zinc/74/13/20/1066741320.db2.gz QUQXVOAHTFAZGD-AREMUKBSSA-N 2 1 450.627 4.058 20 0 JIADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cnc(-c4c(F)cccc4F)s3)c2)C1 ZINC001200346498 1068166230 /nfs/dbraw/zinc/16/62/30/1068166230.db2.gz NVLYDQTZIUNLRH-GOSISDBHSA-N 2 1 456.562 4.075 20 0 JIADMP COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001300375796 1068445337 /nfs/dbraw/zinc/44/53/37/1068445337.db2.gz OOZMAEYGSIJQAX-NRFANRHFSA-N 2 1 468.690 4.431 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849501147 1069073027 /nfs/dbraw/zinc/07/30/27/1069073027.db2.gz KZEOZYLXIMNLFK-JRAXSAEOSA-N 2 1 465.686 4.028 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849501147 1069073029 /nfs/dbraw/zinc/07/30/29/1069073029.db2.gz KZEOZYLXIMNLFK-JRAXSAEOSA-N 2 1 465.686 4.028 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849501147 1069073031 /nfs/dbraw/zinc/07/30/31/1069073031.db2.gz KZEOZYLXIMNLFK-JRAXSAEOSA-N 2 1 465.686 4.028 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849545676 1069182846 /nfs/dbraw/zinc/18/28/46/1069182846.db2.gz WFOCZPZIMACBDD-GPUOULLFSA-N 2 1 451.659 4.014 20 0 JIADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000849600414 1069256109 /nfs/dbraw/zinc/25/61/09/1069256109.db2.gz HGMSTTOWNVSSQN-KCHLEUMXSA-N 2 1 477.697 4.139 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849607890 1069265659 /nfs/dbraw/zinc/26/56/59/1069265659.db2.gz ZPJYLLSMMADBNB-DQEYMECFSA-N 2 1 469.699 4.451 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164818508 720170788 /nfs/dbraw/zinc/17/07/88/720170788.db2.gz SYYQMTWWNMCGRA-HFZDXXHNSA-N 2 1 471.715 4.335 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164818508 720170795 /nfs/dbraw/zinc/17/07/95/720170795.db2.gz SYYQMTWWNMCGRA-HFZDXXHNSA-N 2 1 471.715 4.335 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827490 720339620 /nfs/dbraw/zinc/33/96/20/720339620.db2.gz MHIOTEOHDLYQNA-FCHUYYIVSA-N 2 1 498.741 4.061 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N([C@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)c2c1C ZINC001164735588 720546519 /nfs/dbraw/zinc/54/65/19/720546519.db2.gz PWCCXCUQZKBQCL-LJQANCHMSA-N 2 1 457.688 4.420 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1C ZINC001164835273 720604101 /nfs/dbraw/zinc/60/41/01/720604101.db2.gz AUYPLEBCKNNZDJ-YTFSRNRJSA-N 2 1 493.725 4.478 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1C ZINC001164835273 720604102 /nfs/dbraw/zinc/60/41/02/720604102.db2.gz AUYPLEBCKNNZDJ-YTFSRNRJSA-N 2 1 493.725 4.478 20 0 JIADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1[nH+]cnc3c1ccn3COC(=O)C(C)(C)C)CC2 ZINC001164792297 721495583 /nfs/dbraw/zinc/49/55/83/721495583.db2.gz NFLCZTFGTWRVGC-UHFFFAOYSA-N 2 1 476.625 4.254 20 0 JIADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1[nH+]cnc3c1ccn3COC(=O)C(C)(C)C)CC2 ZINC001164792297 721495587 /nfs/dbraw/zinc/49/55/87/721495587.db2.gz NFLCZTFGTWRVGC-UHFFFAOYSA-N 2 1 476.625 4.254 20 0 JIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ccc(C)nn2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1 ZINC001164963951 722025853 /nfs/dbraw/zinc/02/58/53/722025853.db2.gz UTWIAVLGEBKFDF-ZEVJAHDQSA-N 2 1 450.631 4.166 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@H]34)c2c1C ZINC001164958050 722051216 /nfs/dbraw/zinc/05/12/16/722051216.db2.gz BCVRDDBIXMCMMF-ROKPMTFOSA-N 2 1 478.666 4.204 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300651695 1069336487 /nfs/dbraw/zinc/33/64/87/1069336487.db2.gz BVDZNVKNAHGCRI-NEKDWFFYSA-N 2 1 498.716 4.297 20 0 JIADMP CC(C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H](C)[NH+](C)Cc1ccccc1 ZINC001359686132 1070342660 /nfs/dbraw/zinc/34/26/60/1070342660.db2.gz SSCJTRAQYANIIH-LLZJGCNPSA-N 2 1 492.716 4.175 20 0 JIADMP CC(C)c1nnc(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001359686132 1070342678 /nfs/dbraw/zinc/34/26/78/1070342678.db2.gz SSCJTRAQYANIIH-LLZJGCNPSA-N 2 1 492.716 4.175 20 0 JIADMP CC(C)c1nnc(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359686132 1070342691 /nfs/dbraw/zinc/34/26/91/1070342691.db2.gz SSCJTRAQYANIIH-LLZJGCNPSA-N 2 1 492.716 4.175 20 0 JIADMP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(CC(C)C)n3CC(C)(C)C[NH+]3CCCC3)CC2)c1 ZINC001315545106 1064548501 /nfs/dbraw/zinc/54/85/01/1064548501.db2.gz LDXRYEXVCGVTRU-HSZRJFAPSA-N 2 1 482.717 4.490 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001315658546 1064852573 /nfs/dbraw/zinc/85/25/73/1064852573.db2.gz PKSFUXUZBJPFOQ-DEOSSOPVSA-N 2 1 498.716 4.154 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001315658546 1064852576 /nfs/dbraw/zinc/85/25/76/1064852576.db2.gz PKSFUXUZBJPFOQ-DEOSSOPVSA-N 2 1 498.716 4.154 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001315658546 1064852583 /nfs/dbraw/zinc/85/25/83/1064852583.db2.gz PKSFUXUZBJPFOQ-DEOSSOPVSA-N 2 1 498.716 4.154 20 0 JIADMP COCC[N@@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001316066066 1065704380 /nfs/dbraw/zinc/70/43/80/1065704380.db2.gz UDOFUALFAZJJEE-UHFFFAOYSA-N 2 1 482.717 4.276 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001316129776 1065801898 /nfs/dbraw/zinc/80/18/98/1065801898.db2.gz RQTPPZABSIBMFE-OYRHQHFDSA-N 2 1 482.717 4.169 20 0 JIADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(C)(C)C)n2C[C@H]2CCC[NH+](C)[C@H]2c2cccs2)C[C@H](C)O1 ZINC001316504042 1066472896 /nfs/dbraw/zinc/47/28/96/1066472896.db2.gz GZUZDLKXDGSBPT-ADYITMSISA-N 2 1 488.746 4.266 20 0 JIADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(C(C)(C)C)n2C[C@H]2CCC[NH+](C)[C@H]2c2cccs2)C[C@H](C)O1 ZINC001316504042 1066472903 /nfs/dbraw/zinc/47/29/03/1066472903.db2.gz GZUZDLKXDGSBPT-ADYITMSISA-N 2 1 488.746 4.266 20 0 JIADMP C[C@@H]1C[NH+](CCN(C)c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C[C@H](C)O1 ZINC001316504042 1066472916 /nfs/dbraw/zinc/47/29/16/1066472916.db2.gz GZUZDLKXDGSBPT-ADYITMSISA-N 2 1 488.746 4.266 20 0 JIADMP C[C@@H]1C[NH+](CCN(C)c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C[C@H](C)O1 ZINC001316504042 1066472920 /nfs/dbraw/zinc/47/29/20/1066472920.db2.gz GZUZDLKXDGSBPT-ADYITMSISA-N 2 1 488.746 4.266 20 0 JIADMP COc1ccc([C@H](CNC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)[NH+]2CCCC2)cc1 ZINC001317866237 1066741157 /nfs/dbraw/zinc/74/11/57/1066741157.db2.gz QUQXVOAHTFAZGD-SANMLTNESA-N 2 1 450.627 4.058 20 0 JIADMP Cc1cc(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)ccc1N1CC[NH+](C)CC1 ZINC001318404441 1067038339 /nfs/dbraw/zinc/03/83/39/1067038339.db2.gz QNNTWVNCFHGKQY-JOCHJYFZSA-N 2 1 450.627 4.252 20 0 JIADMP COc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CCC[NH+](C(C)C)C(C)C)cc1 ZINC001300026547 1067398613 /nfs/dbraw/zinc/39/86/13/1067398613.db2.gz BRWSJNGMZPUVKB-GGAORHGYSA-N 2 1 454.663 4.136 20 0 JIADMP Cc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001492582215 1067522758 /nfs/dbraw/zinc/52/27/58/1067522758.db2.gz AFHOWXVKYNKVSS-QHCPKHFHSA-N 2 1 452.691 4.265 20 0 JIADMP COc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CCC[N@@H+](C)C2CCCCC2)cc1OC ZINC001300068227 1067585750 /nfs/dbraw/zinc/58/57/50/1067585750.db2.gz HCSYGVBXQSSTBL-UHFFFAOYSA-N 2 1 484.689 4.147 20 0 JIADMP COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300075139 1067599434 /nfs/dbraw/zinc/59/94/34/1067599434.db2.gz BUCDVWWRBUUWLK-JOCHJYFZSA-N 2 1 498.716 4.252 20 0 JIADMP C[C@@H](c1ccc(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC001200123108 1067687081 /nfs/dbraw/zinc/68/70/81/1067687081.db2.gz XWDYHHRXIDAEAV-VSKRKVRLSA-N 2 1 450.627 4.358 20 0 JIADMP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(C(C)C)n3CC[NH+]3CCCCCC3)CC2)c1 ZINC001300333739 1068294389 /nfs/dbraw/zinc/29/43/89/1068294389.db2.gz XNLCNFFXGVAPLE-JOCHJYFZSA-N 2 1 454.663 4.169 20 0 JIADMP COc1cccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)c1 ZINC001300353512 1068369066 /nfs/dbraw/zinc/36/90/66/1068369066.db2.gz QUUWGKYTPMYGBV-RJGXRXQPSA-N 2 1 498.716 4.010 20 0 JIADMP COc1cccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)c1 ZINC001300353512 1068369092 /nfs/dbraw/zinc/36/90/92/1068369092.db2.gz QUUWGKYTPMYGBV-RJGXRXQPSA-N 2 1 498.716 4.010 20 0 JIADMP COc1cccc(-c2nnc(N(C)CC[NH+]3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001300353512 1068369100 /nfs/dbraw/zinc/36/91/00/1068369100.db2.gz QUUWGKYTPMYGBV-RJGXRXQPSA-N 2 1 498.716 4.010 20 0 JIADMP COc1cccc(-c2nnc(N(C)CC[NH+]3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001300353512 1068369120 /nfs/dbraw/zinc/36/91/20/1068369120.db2.gz QUUWGKYTPMYGBV-RJGXRXQPSA-N 2 1 498.716 4.010 20 0 JIADMP COc1ccccc1-c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCC[NH+](C(C)C)C(C)C ZINC001300510123 1068886332 /nfs/dbraw/zinc/88/63/32/1068886332.db2.gz HDPQIXJCFXZEFG-HSZRJFAPSA-N 2 1 498.716 4.152 20 0 JIADMP CCC(CC)(CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)[NH2+][C@H](C)c1ccccc1 ZINC000849545904 1069181708 /nfs/dbraw/zinc/18/17/08/1069181708.db2.gz YIIFIQVIAVMYTA-NQHRYMMQSA-N 2 1 453.675 4.260 20 0 JIADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cccc(C3CC[NH+](Cc4ccccc4)CC3)c2)cn1 ZINC000849606724 1069264443 /nfs/dbraw/zinc/26/44/43/1069264443.db2.gz RCBCDGLPSXZIIA-IZLXSDGUSA-N 2 1 471.649 4.474 20 0 JIADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)c2c1CC[NH2+]C2 ZINC001164685083 719610754 /nfs/dbraw/zinc/61/07/54/719610754.db2.gz QSEMYJKLSXHNPR-UHFFFAOYSA-N 2 1 455.340 4.217 20 0 JIADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)c2c1CC[NH2+]C2 ZINC001164685083 719610759 /nfs/dbraw/zinc/61/07/59/719610759.db2.gz QSEMYJKLSXHNPR-UHFFFAOYSA-N 2 1 455.340 4.217 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(c3ncccc3F)[C@H]3CO[C@@]4(CC[NH2+]C4)C3)c2c1C ZINC001164693653 719759764 /nfs/dbraw/zinc/75/97/64/719759764.db2.gz ZDXFRFCGYLXDII-CJAUYULYSA-N 2 1 482.629 4.097 20 0 JIADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164819751 720169722 /nfs/dbraw/zinc/16/97/22/720169722.db2.gz YBFNEFLDAPBACR-AJTFRIOCSA-N 2 1 483.726 4.479 20 0 JIADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164819751 720169723 /nfs/dbraw/zinc/16/97/23/720169723.db2.gz YBFNEFLDAPBACR-AJTFRIOCSA-N 2 1 483.726 4.479 20 0 JIADMP c1cncc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164735120 720440564 /nfs/dbraw/zinc/44/05/64/720440564.db2.gz WEYLMMYGMZDWAI-YADHBBJMSA-N 2 1 474.678 4.414 20 0 JIADMP c1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164735120 720440572 /nfs/dbraw/zinc/44/05/72/720440572.db2.gz WEYLMMYGMZDWAI-YADHBBJMSA-N 2 1 474.678 4.414 20 0 JIADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754383 720903580 /nfs/dbraw/zinc/90/35/80/720903580.db2.gz ITNAJAFKVVMDBF-HOFKKMOUSA-N 2 1 460.626 4.162 20 0 JIADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754383 720903584 /nfs/dbraw/zinc/90/35/84/720903584.db2.gz ITNAJAFKVVMDBF-HOFKKMOUSA-N 2 1 460.626 4.162 20 0 JIADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164788617 721461300 /nfs/dbraw/zinc/46/13/00/721461300.db2.gz UTHGNKZXRCUPNM-HSZRJFAPSA-N 2 1 477.093 4.065 20 0 JIADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164788617 721461304 /nfs/dbraw/zinc/46/13/04/721461304.db2.gz UTHGNKZXRCUPNM-HSZRJFAPSA-N 2 1 477.093 4.065 20 0 JIADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2[nH+]ccc3c2ccn3Cc2ccccc2)[C@H]2CCCO[C@@H]12 ZINC001164804652 721561603 /nfs/dbraw/zinc/56/16/03/721561603.db2.gz LENCKRHPJIFHHB-OYUWMTPXSA-N 2 1 453.590 4.348 20 0 JIADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2[nH+]ccc3c2ccn3Cc2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164804654 721562041 /nfs/dbraw/zinc/56/20/41/721562041.db2.gz LENCKRHPJIFHHB-VJGNERBWSA-N 2 1 453.590 4.348 20 0 JIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ccc(C)nn2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1 ZINC001164963941 722025805 /nfs/dbraw/zinc/02/58/05/722025805.db2.gz UTWIAVLGEBKFDF-PLXFJCCSSA-N 2 1 450.631 4.166 20 0 JIADMP CC(C)(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001359535222 1069828566 /nfs/dbraw/zinc/82/85/66/1069828566.db2.gz MTYNIEADNJZICI-HSZRJFAPSA-N 2 1 474.738 4.070 20 0 JIADMP CC(C)(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001359535222 1069828569 /nfs/dbraw/zinc/82/85/69/1069828569.db2.gz MTYNIEADNJZICI-HSZRJFAPSA-N 2 1 474.738 4.070 20 0 JIADMP CC(C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001359686131 1070342795 /nfs/dbraw/zinc/34/27/95/1070342795.db2.gz SSCJTRAQYANIIH-KTIWRFAQSA-N 2 1 492.716 4.175 20 0 JIADMP CC(C)c1nnc(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001359686131 1070342811 /nfs/dbraw/zinc/34/28/11/1070342811.db2.gz SSCJTRAQYANIIH-KTIWRFAQSA-N 2 1 492.716 4.175 20 0 JIADMP CC(C)c1nnc(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359686131 1070342828 /nfs/dbraw/zinc/34/28/28/1070342828.db2.gz SSCJTRAQYANIIH-KTIWRFAQSA-N 2 1 492.716 4.175 20 0 JIADMP COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCC[N@H+](C3CCCC3)CC2)[NH+](C)C)c1 ZINC001315547221 1064556071 /nfs/dbraw/zinc/55/60/71/1064556071.db2.gz OKRVSKJBDLCFCN-VWLOTQADSA-N 2 1 468.690 4.243 20 0 JIADMP COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001315558806 1064582620 /nfs/dbraw/zinc/58/26/20/1064582620.db2.gz IWTRETKYOJGHEE-NRFANRHFSA-N 2 1 454.663 4.041 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001315625818 1064768075 /nfs/dbraw/zinc/76/80/75/1064768075.db2.gz XLKMUOANMUJBMF-HSZRJFAPSA-N 2 1 470.706 4.164 20 0 JIADMP COCC[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001316066134 1065704592 /nfs/dbraw/zinc/70/45/92/1065704592.db2.gz VOKODZODDMXXBH-UHFFFAOYSA-N 2 1 475.081 4.022 20 0 JIADMP COCC[N@@H+](C)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001316069934 1065709381 /nfs/dbraw/zinc/70/93/81/1065709381.db2.gz MNLORMUVIYSYJB-UHFFFAOYSA-N 2 1 488.746 4.164 20 0 JIADMP COCC[NH+](C)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001316069934 1065709394 /nfs/dbraw/zinc/70/93/94/1065709394.db2.gz MNLORMUVIYSYJB-UHFFFAOYSA-N 2 1 488.746 4.164 20 0 JIADMP COCC[NH+](C)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001316069934 1065709405 /nfs/dbraw/zinc/70/94/05/1065709405.db2.gz MNLORMUVIYSYJB-UHFFFAOYSA-N 2 1 488.746 4.164 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC001316134686 1065803003 /nfs/dbraw/zinc/80/30/03/1065803003.db2.gz XXHYTSJDPIFLQD-QHCPKHFHSA-N 2 1 482.717 4.058 20 0 JIADMP CC[NH+](CC)CCOc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)ccc1OC ZINC001318091689 1066895124 /nfs/dbraw/zinc/89/51/24/1066895124.db2.gz FVACJWMSDLENBD-UHFFFAOYSA-N 2 1 468.642 4.464 20 0 JIADMP COC1CC[NH+](C(C)(C)Cn2c(N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001300787552 1067351573 /nfs/dbraw/zinc/35/15/73/1067351573.db2.gz VBEYJHIRTOUHQH-HSZRJFAPSA-N 2 1 482.717 4.176 20 0 JIADMP COc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2CCC[NH+](C(C)C)C(C)C)cc1 ZINC001300026549 1067398545 /nfs/dbraw/zinc/39/85/45/1067398545.db2.gz BRWSJNGMZPUVKB-JTHBVZDNSA-N 2 1 454.663 4.136 20 0 JIADMP COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC001300075141 1067599525 /nfs/dbraw/zinc/59/95/25/1067599525.db2.gz BUCDVWWRBUUWLK-QFIPXVFZSA-N 2 1 498.716 4.252 20 0 JIADMP C[N@@H+](CCOc1cccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1)C1CCOCC1 ZINC000849073438 1067796981 /nfs/dbraw/zinc/79/69/81/1067796981.db2.gz URHONQIGHUNPGP-UHFFFAOYSA-N 2 1 466.504 4.211 20 0 JIADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F ZINC000849074255 1067797165 /nfs/dbraw/zinc/79/71/65/1067797165.db2.gz LQQPWPZAGGHAIK-UHFFFAOYSA-N 2 1 472.458 4.112 20 0 JIADMP COc1ccccc1-c1nnc(N(C)CCN2CCOC(C)(C)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001300475860 1068824482 /nfs/dbraw/zinc/82/44/82/1068824482.db2.gz WWXBMJMUIRSSMR-QFIPXVFZSA-N 2 1 498.716 4.011 20 0 JIADMP COc1ccccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC001300475860 1068824484 /nfs/dbraw/zinc/82/44/84/1068824484.db2.gz WWXBMJMUIRSSMR-QFIPXVFZSA-N 2 1 498.716 4.011 20 0 JIADMP COc1ccccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC001300475860 1068824487 /nfs/dbraw/zinc/82/44/87/1068824487.db2.gz WWXBMJMUIRSSMR-QFIPXVFZSA-N 2 1 498.716 4.011 20 0 JIADMP COc1ccccc1-c1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300475860 1068824495 /nfs/dbraw/zinc/82/44/95/1068824495.db2.gz WWXBMJMUIRSSMR-QFIPXVFZSA-N 2 1 498.716 4.011 20 0 JIADMP COc1ccccc1-c1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001300475860 1068824501 /nfs/dbraw/zinc/82/45/01/1068824501.db2.gz WWXBMJMUIRSSMR-QFIPXVFZSA-N 2 1 498.716 4.011 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300566642 1069058006 /nfs/dbraw/zinc/05/80/06/1069058006.db2.gz DNIXGMCWDJNWNQ-XMMPIXPASA-N 2 1 482.717 4.166 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001300566642 1069058015 /nfs/dbraw/zinc/05/80/15/1069058015.db2.gz DNIXGMCWDJNWNQ-XMMPIXPASA-N 2 1 482.717 4.166 20 0 JIADMP COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001300566642 1069058020 /nfs/dbraw/zinc/05/80/20/1069058020.db2.gz DNIXGMCWDJNWNQ-XMMPIXPASA-N 2 1 482.717 4.166 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849492112 1069059569 /nfs/dbraw/zinc/05/95/69/1069059569.db2.gz BYHHSUUWHRANPV-VSGBNLITSA-N 2 1 473.665 4.279 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849503025 1069075774 /nfs/dbraw/zinc/07/57/74/1069075774.db2.gz UYYOHHCEROVECZ-HXABMTEBSA-N 2 1 465.686 4.028 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849503025 1069075784 /nfs/dbraw/zinc/07/57/84/1069075784.db2.gz UYYOHHCEROVECZ-HXABMTEBSA-N 2 1 465.686 4.028 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849503025 1069075796 /nfs/dbraw/zinc/07/57/96/1069075796.db2.gz UYYOHHCEROVECZ-HXABMTEBSA-N 2 1 465.686 4.028 20 0 JIADMP CCCOc1c(Br)cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1OCC ZINC001200623144 1069085356 /nfs/dbraw/zinc/08/53/56/1069085356.db2.gz VVMIIXOOAIIHGR-QGZVFWFLSA-N 2 1 455.437 4.227 20 0 JIADMP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849510099 1069091752 /nfs/dbraw/zinc/09/17/52/1069091752.db2.gz GZABYPRXTGUQGY-RTWAWAEBSA-N 2 1 480.484 4.133 20 0 JIADMP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849524754 1069118968 /nfs/dbraw/zinc/11/89/68/1069118968.db2.gz KFGHQJIPGOJYIM-CCDWMCETSA-N 2 1 472.077 4.058 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849524754 1069118983 /nfs/dbraw/zinc/11/89/83/1069118983.db2.gz KFGHQJIPGOJYIM-CCDWMCETSA-N 2 1 472.077 4.058 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849524754 1069119001 /nfs/dbraw/zinc/11/90/01/1069119001.db2.gz KFGHQJIPGOJYIM-CCDWMCETSA-N 2 1 472.077 4.058 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849524754 1069119012 /nfs/dbraw/zinc/11/90/12/1069119012.db2.gz KFGHQJIPGOJYIM-CCDWMCETSA-N 2 1 472.077 4.058 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849525961 1069123319 /nfs/dbraw/zinc/12/33/19/1069123319.db2.gz PUTBDMOEADPDGM-VSGBNLITSA-N 2 1 479.713 4.085 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849545675 1069183005 /nfs/dbraw/zinc/18/30/05/1069183005.db2.gz WFOCZPZIMACBDD-FTBPSBKWSA-N 2 1 451.659 4.014 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849574484 1069225008 /nfs/dbraw/zinc/22/50/08/1069225008.db2.gz YJZUIMFLGFOCCX-FTJBHMTQSA-N 2 1 451.659 4.147 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849575301 1069226352 /nfs/dbraw/zinc/22/63/52/1069226352.db2.gz ZYRLKZWRARHFKI-FBLLAGFSSA-N 2 1 487.639 4.244 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849598855 1069256387 /nfs/dbraw/zinc/25/63/87/1069256387.db2.gz HSDKKWMRJAKRDV-UPRLRBBYSA-N 2 1 491.724 4.383 20 0 JIADMP c1csc(-c2csc3nc(C[NH+]4CCCCC4)nc(N4CCO[C@H]5C[NH2+]CC[C@@H]5C4)c23)c1 ZINC001164406527 718864422 /nfs/dbraw/zinc/86/44/22/718864422.db2.gz HFKDDSVDMJRHNM-MJGOQNOKSA-N 2 1 469.680 4.220 20 0 JIADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164614417 719010730 /nfs/dbraw/zinc/01/07/30/719010730.db2.gz FGFKJUVTYAROMX-HRFSGMKKSA-N 2 1 497.709 4.053 20 0 JIADMP CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164649252 719318084 /nfs/dbraw/zinc/31/80/84/719318084.db2.gz AVVIAIUTBOGMHT-UHFFFAOYSA-N 2 1 464.992 4.058 20 0 JIADMP CC(C)N(c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)c1ncnc2c1CC[NH2+]CC2 ZINC001164659399 719344756 /nfs/dbraw/zinc/34/47/56/719344756.db2.gz CBPQIOQMCJWBTB-UHFFFAOYSA-N 2 1 473.650 4.445 20 0 JIADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)c2c1CC[NH2+]C2 ZINC001164682253 719624430 /nfs/dbraw/zinc/62/44/30/719624430.db2.gz MDHXQUDXMDOFCJ-UHFFFAOYSA-N 2 1 455.340 4.217 20 0 JIADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)c2c1CC[NH2+]C2 ZINC001164682253 719624441 /nfs/dbraw/zinc/62/44/41/719624441.db2.gz MDHXQUDXMDOFCJ-UHFFFAOYSA-N 2 1 455.340 4.217 20 0 JIADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164817788 720169069 /nfs/dbraw/zinc/16/90/69/720169069.db2.gz QFWUGDDCAYONRY-KMRXNPHXSA-N 2 1 495.737 4.351 20 0 JIADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164817788 720169073 /nfs/dbraw/zinc/16/90/73/720169073.db2.gz QFWUGDDCAYONRY-KMRXNPHXSA-N 2 1 495.737 4.351 20 0 JIADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)CC[C@@H]21 ZINC001164835777 720525870 /nfs/dbraw/zinc/52/58/70/720525870.db2.gz LGZUMXHOTGQIIO-PBWSGDRGSA-N 2 1 470.665 4.214 20 0 JIADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC[C@@H]21 ZINC001164835777 720525878 /nfs/dbraw/zinc/52/58/78/720525878.db2.gz LGZUMXHOTGQIIO-PBWSGDRGSA-N 2 1 470.665 4.214 20 0 JIADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC[C@@H]21 ZINC001164835777 720525885 /nfs/dbraw/zinc/52/58/85/720525885.db2.gz LGZUMXHOTGQIIO-PBWSGDRGSA-N 2 1 470.665 4.214 20 0 JIADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757481 720894329 /nfs/dbraw/zinc/89/43/29/720894329.db2.gz VDASGNZTEFDHRS-LSYYVWMOSA-N 2 1 496.099 4.481 20 0 JIADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757481 720894333 /nfs/dbraw/zinc/89/43/33/720894333.db2.gz VDASGNZTEFDHRS-LSYYVWMOSA-N 2 1 496.099 4.481 20 0 JIADMP c1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(c2nc(C[NH+]4CCCC4)nc4sc5c(c42)CCCC5)C3)co1 ZINC001164931252 721901281 /nfs/dbraw/zinc/90/12/81/721901281.db2.gz PGMHESPJEGZNKD-UXHICEINSA-N 2 1 463.651 4.470 20 0 JIADMP c1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(c2nc(C[NH+]4CCCC4)nc4sc5c(c42)CCCC5)C3)co1 ZINC001164931252 721901284 /nfs/dbraw/zinc/90/12/84/721901284.db2.gz PGMHESPJEGZNKD-UXHICEINSA-N 2 1 463.651 4.470 20 0 JIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ccc(C)nn2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC001164963927 722025720 /nfs/dbraw/zinc/02/57/20/722025720.db2.gz UTWIAVLGEBKFDF-JQYIIUTOSA-N 2 1 450.631 4.166 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@@H]32)n1 ZINC001164961247 722051211 /nfs/dbraw/zinc/05/12/11/722051211.db2.gz WUAKSEMLRGQHGC-REHUZNOOSA-N 2 1 480.682 4.450 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300651696 1069336592 /nfs/dbraw/zinc/33/65/92/1069336592.db2.gz BVDZNVKNAHGCRI-QDPGVEIFSA-N 2 1 498.716 4.297 20 0 JIADMP CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001359548238 1069854642 /nfs/dbraw/zinc/85/46/42/1069854642.db2.gz SQYDSNBUFBLWHF-QHCPKHFHSA-N 2 1 460.711 4.487 20 0 JIADMP COc1ccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001315531134 1064516272 /nfs/dbraw/zinc/51/62/72/1064516272.db2.gz SDJKXJPSXJUWOP-JOCHJYFZSA-N 2 1 486.705 4.153 20 0 JIADMP COc1ccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC[N@@H+](C)C2CCCCC2)cc1 ZINC001315532391 1064519467 /nfs/dbraw/zinc/51/94/67/1064519467.db2.gz BIHURUGFZKTKAO-UHFFFAOYSA-N 2 1 484.689 4.051 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001315658547 1064852479 /nfs/dbraw/zinc/85/24/79/1064852479.db2.gz PKSFUXUZBJPFOQ-XMMPIXPASA-N 2 1 498.716 4.154 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001315658547 1064852483 /nfs/dbraw/zinc/85/24/83/1064852483.db2.gz PKSFUXUZBJPFOQ-XMMPIXPASA-N 2 1 498.716 4.154 20 0 JIADMP COc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001315658547 1064852486 /nfs/dbraw/zinc/85/24/86/1064852486.db2.gz PKSFUXUZBJPFOQ-XMMPIXPASA-N 2 1 498.716 4.154 20 0 JIADMP COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001316068672 1065707577 /nfs/dbraw/zinc/70/75/77/1065707577.db2.gz LBWUEXYVANKDMD-UHFFFAOYSA-N 2 1 495.499 4.285 20 0 JIADMP COCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001316069057 1065707839 /nfs/dbraw/zinc/70/78/39/1065707839.db2.gz AZVUCPMSXIYJNL-JOCHJYFZSA-N 2 1 489.108 4.125 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C[C@H]1C ZINC001316133769 1065802435 /nfs/dbraw/zinc/80/24/35/1065802435.db2.gz PVZYPHPGLAJSQF-NOZRDPDXSA-N 2 1 482.717 4.169 20 0 JIADMP Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001492515964 1066363287 /nfs/dbraw/zinc/36/32/87/1066363287.db2.gz JNRMWFGCBNEEOO-QFQXNSOFSA-N 2 1 453.679 4.080 20 0 JIADMP Cc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492517509 1066372898 /nfs/dbraw/zinc/37/28/98/1066372898.db2.gz VLFGCWCHPNLLHJ-OYRHEFFESA-N 2 1 467.706 4.326 20 0 JIADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)NC3CC[NH+](Cc4ccc(F)c(F)c4)CC3)CC2)cc1 ZINC001319301835 1067071694 /nfs/dbraw/zinc/07/16/94/1067071694.db2.gz OPXVVWCMCDOVBT-UHFFFAOYSA-N 2 1 456.581 4.155 20 0 JIADMP Cc1ccc(C[N@H+]2CCCN(C(=O)NC3CC[NH+](Cc4ccc(F)c(F)c4)CC3)CC2)cc1 ZINC001319301835 1067071707 /nfs/dbraw/zinc/07/17/07/1067071707.db2.gz OPXVVWCMCDOVBT-UHFFFAOYSA-N 2 1 456.581 4.155 20 0 JIADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c2)C1 ZINC001322611708 1067306369 /nfs/dbraw/zinc/30/63/69/1067306369.db2.gz SRWQPPHAOVGIDK-GOSISDBHSA-N 2 1 463.981 4.327 20 0 JIADMP Cc1cccc(-c2nnc(N(C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001492497537 1067338596 /nfs/dbraw/zinc/33/85/96/1067338596.db2.gz ZZSCCUXPXSQOGT-ILBGXUMGSA-N 2 1 475.685 4.478 20 0 JIADMP Cc1cccc(-c2nnc(N(C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)n2CC[NH+](C)C(C)C)n1 ZINC001492497537 1067338609 /nfs/dbraw/zinc/33/86/09/1067338609.db2.gz ZZSCCUXPXSQOGT-ILBGXUMGSA-N 2 1 475.685 4.478 20 0 JIADMP Cc1cccc(-c2nnc(N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)n2CC[NH+](C)C(C)C)n1 ZINC001492497537 1067338625 /nfs/dbraw/zinc/33/86/25/1067338625.db2.gz ZZSCCUXPXSQOGT-ILBGXUMGSA-N 2 1 475.685 4.478 20 0 JIADMP COc1ccc(-c2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2CCC[NH+](C(C)C)C(C)C)cc1 ZINC001300070955 1067591733 /nfs/dbraw/zinc/59/17/33/1067591733.db2.gz OWLBIHWPYOZOQS-QHCPKHFHSA-N 2 1 498.716 4.152 20 0 JIADMP C[C@H](NC(=[NH2+])NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC000849062618 1067791834 /nfs/dbraw/zinc/79/18/34/1067791834.db2.gz WQPPVHZDBCJYCS-INIZCTEOSA-N 2 1 478.424 4.029 20 0 JIADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@]2(C)c2ccccc2)[C@@H](C)C1 ZINC001353377345 1068071103 /nfs/dbraw/zinc/07/11/03/1068071103.db2.gz WANQXMSPTOESRR-SAWAIYNCSA-N 2 1 477.693 4.330 20 0 JIADMP CCOCCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)[C@@H](C)C1 ZINC001353377345 1068071111 /nfs/dbraw/zinc/07/11/11/1068071111.db2.gz WANQXMSPTOESRR-SAWAIYNCSA-N 2 1 477.693 4.330 20 0 JIADMP CCOCCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)[C@@H](C)C1 ZINC001353377345 1068071126 /nfs/dbraw/zinc/07/11/26/1068071126.db2.gz WANQXMSPTOESRR-SAWAIYNCSA-N 2 1 477.693 4.330 20 0 JIADMP COc1ccc(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2CC[N@@H+](C)C2CCCCC2)cc1 ZINC001300292358 1068098116 /nfs/dbraw/zinc/09/81/16/1068098116.db2.gz RUDSKISTUYCFFQ-UHFFFAOYSA-N 2 1 484.689 4.051 20 0 JIADMP COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC[NH+](C)C2CCCCC2)cc1 ZINC001300292358 1068098128 /nfs/dbraw/zinc/09/81/28/1068098128.db2.gz RUDSKISTUYCFFQ-UHFFFAOYSA-N 2 1 484.689 4.051 20 0 JIADMP COc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC[NH+](C)C2CCCCC2)cc1 ZINC001300292358 1068098141 /nfs/dbraw/zinc/09/81/41/1068098141.db2.gz RUDSKISTUYCFFQ-UHFFFAOYSA-N 2 1 484.689 4.051 20 0 JIADMP COc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CC[NH+](Cc3ccsc3)CC2)[NH+](C)C)c1 ZINC001300333513 1068291798 /nfs/dbraw/zinc/29/17/98/1068291798.db2.gz BLKONRYTZZJPEY-HSZRJFAPSA-N 2 1 468.671 4.097 20 0 JIADMP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C(C)C)n3CC[NH+]3CCCCCC3)CC2)c1 ZINC001300333742 1068293588 /nfs/dbraw/zinc/29/35/88/1068293588.db2.gz XNLCNFFXGVAPLE-QFIPXVFZSA-N 2 1 454.663 4.169 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849501144 1069072976 /nfs/dbraw/zinc/07/29/76/1069072976.db2.gz KZEOZYLXIMNLFK-IMIIGWPFSA-N 2 1 465.686 4.028 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849501144 1069072981 /nfs/dbraw/zinc/07/29/81/1069072981.db2.gz KZEOZYLXIMNLFK-IMIIGWPFSA-N 2 1 465.686 4.028 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849501144 1069072984 /nfs/dbraw/zinc/07/29/84/1069072984.db2.gz KZEOZYLXIMNLFK-IMIIGWPFSA-N 2 1 465.686 4.028 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849503028 1069076665 /nfs/dbraw/zinc/07/66/65/1069076665.db2.gz UYYOHHCEROVECZ-ZKBLBJRCSA-N 2 1 465.686 4.028 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849503028 1069076671 /nfs/dbraw/zinc/07/66/71/1069076671.db2.gz UYYOHHCEROVECZ-ZKBLBJRCSA-N 2 1 465.686 4.028 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849503028 1069076681 /nfs/dbraw/zinc/07/66/81/1069076681.db2.gz UYYOHHCEROVECZ-ZKBLBJRCSA-N 2 1 465.686 4.028 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849505287 1069084508 /nfs/dbraw/zinc/08/45/08/1069084508.db2.gz GVWWNDCKRYKVII-RRPNLBNLSA-N 2 1 465.686 4.315 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849505287 1069084520 /nfs/dbraw/zinc/08/45/20/1069084520.db2.gz GVWWNDCKRYKVII-RRPNLBNLSA-N 2 1 465.686 4.315 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849505287 1069084532 /nfs/dbraw/zinc/08/45/32/1069084532.db2.gz GVWWNDCKRYKVII-RRPNLBNLSA-N 2 1 465.686 4.315 20 0 JIADMP CCCN(C(=O)[C@@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000849515852 1069102334 /nfs/dbraw/zinc/10/23/34/1069102334.db2.gz MXHSQJUKSZWOKO-VJGNERBWSA-N 2 1 465.686 4.137 20 0 JIADMP CCCN(C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000849515852 1069102340 /nfs/dbraw/zinc/10/23/40/1069102340.db2.gz MXHSQJUKSZWOKO-VJGNERBWSA-N 2 1 465.686 4.137 20 0 JIADMP CCCN(C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000849515852 1069102343 /nfs/dbraw/zinc/10/23/43/1069102343.db2.gz MXHSQJUKSZWOKO-VJGNERBWSA-N 2 1 465.686 4.137 20 0 JIADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)cn1 ZINC000849518899 1069108690 /nfs/dbraw/zinc/10/86/90/1069108690.db2.gz SUSFGKFHSIOXMJ-RRPNLBNLSA-N 2 1 473.665 4.025 20 0 JIADMP CC(C)[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849526335 1069120820 /nfs/dbraw/zinc/12/08/20/1069120820.db2.gz SDXAKISNQVBELQ-FGZHOGPDSA-N 2 1 492.495 4.322 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849526335 1069120832 /nfs/dbraw/zinc/12/08/32/1069120832.db2.gz SDXAKISNQVBELQ-FGZHOGPDSA-N 2 1 492.495 4.322 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)Nc2nc3ccc(C[NH+](C)C4CC4)cc3s2)[C@@H](c2cnn(C)c2)C1 ZINC000849607967 1069265573 /nfs/dbraw/zinc/26/55/73/1069265573.db2.gz MMIJODCPOVMAJP-LEWJYISDSA-N 2 1 466.655 4.077 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)Nc2nc3ccc(C[N@H+](C)C4CC4)cc3s2)[C@@H](c2cnn(C)c2)C1 ZINC000849607967 1069265584 /nfs/dbraw/zinc/26/55/84/1069265584.db2.gz MMIJODCPOVMAJP-LEWJYISDSA-N 2 1 466.655 4.077 20 0 JIADMP CC(C)[NH+]1CC[C@H](C(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)[C@@H](c2cnn(C)c2)C1 ZINC000849607967 1069265600 /nfs/dbraw/zinc/26/56/00/1069265600.db2.gz MMIJODCPOVMAJP-LEWJYISDSA-N 2 1 466.655 4.077 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849607897 1069265629 /nfs/dbraw/zinc/26/56/29/1069265629.db2.gz ZPJYLLSMMADBNB-RPBOFIJWSA-N 2 1 469.699 4.451 20 0 JIADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164679986 719654431 /nfs/dbraw/zinc/65/44/31/719654431.db2.gz BSOZILGQVCEAOS-UHFFFAOYSA-N 2 1 464.923 4.216 20 0 JIADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164679986 719654440 /nfs/dbraw/zinc/65/44/40/719654440.db2.gz BSOZILGQVCEAOS-UHFFFAOYSA-N 2 1 464.923 4.216 20 0 JIADMP COc1ccc2c(cc[nH+]c2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164752973 720879093 /nfs/dbraw/zinc/87/90/93/720879093.db2.gz OADBZNDJSBWVFB-YWEHKCAJSA-N 2 1 458.606 4.394 20 0 JIADMP COc1ccc2c(cc[nH+]c2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164752973 720879097 /nfs/dbraw/zinc/87/90/97/720879097.db2.gz OADBZNDJSBWVFB-YWEHKCAJSA-N 2 1 458.606 4.394 20 0 JIADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)c3ccc(OC)cc3[nH+]1)CC2 ZINC001164784815 721462370 /nfs/dbraw/zinc/46/23/70/721462370.db2.gz KKXCEEWNJKQXCF-JOCHJYFZSA-N 2 1 453.627 4.286 20 0 JIADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)c3ccc(OC)cc3[nH+]1)CC2 ZINC001164784815 721462372 /nfs/dbraw/zinc/46/23/72/721462372.db2.gz KKXCEEWNJKQXCF-JOCHJYFZSA-N 2 1 453.627 4.286 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(c3ccc(C)nn3)[C@H]3CO[C@]4(C3)CCC[NH2+]C4)c2c1C ZINC001164964612 722025555 /nfs/dbraw/zinc/02/55/55/722025555.db2.gz WYUDUTGZRQPALA-IBVKSMDESA-N 2 1 493.681 4.052 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@@H]34)c2c1C ZINC001164958048 722051433 /nfs/dbraw/zinc/05/14/33/722051433.db2.gz BCVRDDBIXMCMMF-DCLXLUIPSA-N 2 1 478.666 4.204 20 0 JIADMP COc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)[NH+](C)C)c1 ZINC001315544277 1064546243 /nfs/dbraw/zinc/54/62/43/1064546243.db2.gz CBUKSIUJRHCOCE-TVZXLZGTSA-N 2 1 498.716 4.039 20 0 JIADMP COc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCC[NH+]2CCCCC2)c1 ZINC001315556843 1064576203 /nfs/dbraw/zinc/57/62/03/1064576203.db2.gz DJIUYKJKGDKFLC-UHFFFAOYSA-N 2 1 468.690 4.386 20 0 JIADMP COc1ccccc1-c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001315604346 1064716847 /nfs/dbraw/zinc/71/68/47/1064716847.db2.gz HXVNLFYWZZFWRB-UHFFFAOYSA-N 2 1 454.663 4.139 20 0 JIADMP COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[NH+](C)C1CCCC1 ZINC001315604346 1064716860 /nfs/dbraw/zinc/71/68/60/1064716860.db2.gz HXVNLFYWZZFWRB-UHFFFAOYSA-N 2 1 454.663 4.139 20 0 JIADMP COc1ccccc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[NH+](C)C1CCCC1 ZINC001315604346 1064716873 /nfs/dbraw/zinc/71/68/73/1064716873.db2.gz HXVNLFYWZZFWRB-UHFFFAOYSA-N 2 1 454.663 4.139 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)C)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001315642462 1064806979 /nfs/dbraw/zinc/80/69/79/1064806979.db2.gz DQVOYXLYRZZLAU-JOCHJYFZSA-N 2 1 468.671 4.097 20 0 JIADMP COC1CC[NH+](C(C)(C)Cn2c(N3CCC[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001315706221 1064977471 /nfs/dbraw/zinc/97/74/71/1064977471.db2.gz SPYLJXTUPRJDEY-UHFFFAOYSA-N 2 1 482.717 4.177 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001316125357 1065794387 /nfs/dbraw/zinc/79/43/87/1065794387.db2.gz NMQKOECDNJLFDO-OALUTQOASA-N 2 1 495.499 4.141 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001316125357 1065794403 /nfs/dbraw/zinc/79/44/03/1065794403.db2.gz NMQKOECDNJLFDO-OALUTQOASA-N 2 1 495.499 4.141 20 0 JIADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001316125357 1065794416 /nfs/dbraw/zinc/79/44/16/1065794416.db2.gz NMQKOECDNJLFDO-OALUTQOASA-N 2 1 495.499 4.141 20 0 JIADMP COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C ZINC001316134685 1065802886 /nfs/dbraw/zinc/80/28/86/1065802886.db2.gz XXHYTSJDPIFLQD-HSZRJFAPSA-N 2 1 482.717 4.058 20 0 JIADMP CSC1(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC001316408448 1066192771 /nfs/dbraw/zinc/19/27/71/1066192771.db2.gz RMYBIHZXKOEIPN-HSZRJFAPSA-N 2 1 484.758 4.405 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC[NH+]2CCCCCC2)cc1 ZINC001300061182 1067562445 /nfs/dbraw/zinc/56/24/45/1067562445.db2.gz AZNAWLFPKKRJJG-UHFFFAOYSA-N 2 1 454.663 4.140 20 0 JIADMP COc1ccc(-c2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300070739 1067591354 /nfs/dbraw/zinc/59/13/54/1067591354.db2.gz LEOSUMISMIPTNN-QPPBQGQZSA-N 2 1 498.716 4.249 20 0 JIADMP COc1ccc(CCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300126423 1067753978 /nfs/dbraw/zinc/75/39/78/1067753978.db2.gz NLKILJQYLBPCLD-XZOQPEGZSA-N 2 1 482.717 4.113 20 0 JIADMP Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCC[NH+](C)C1CCCCC1 ZINC001492559514 1067885055 /nfs/dbraw/zinc/88/50/55/1067885055.db2.gz DDPKTAWUTXBSGS-PSWAGMNNSA-N 2 1 482.717 4.454 20 0 JIADMP Cc1ccccc1-c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCC[NH+](C)C1CCCCC1 ZINC001492559514 1067885057 /nfs/dbraw/zinc/88/50/57/1067885057.db2.gz DDPKTAWUTXBSGS-PSWAGMNNSA-N 2 1 482.717 4.454 20 0 JIADMP Cc1ccccc1-c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001492559514 1067885058 /nfs/dbraw/zinc/88/50/58/1067885058.db2.gz DDPKTAWUTXBSGS-PSWAGMNNSA-N 2 1 482.717 4.454 20 0 JIADMP Cc1ccccc1-c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001492559514 1067885059 /nfs/dbraw/zinc/88/50/59/1067885059.db2.gz DDPKTAWUTXBSGS-PSWAGMNNSA-N 2 1 482.717 4.454 20 0 JIADMP C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)cc3)cc2)C[C@H](C)O1 ZINC001357903791 1067935631 /nfs/dbraw/zinc/93/56/31/1067935631.db2.gz ACGAHPHUKRBFMW-SFTDATJTSA-N 2 1 450.627 4.079 20 0 JIADMP Cc1ccccc1-c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCC[NH+]1CCCO[C@H](C)C1 ZINC001492563900 1068046828 /nfs/dbraw/zinc/04/68/28/1068046828.db2.gz PXOQECYVOLMOCH-XMMPIXPASA-N 2 1 482.717 4.311 20 0 JIADMP Cc1ccccc1-c1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001492563900 1068046845 /nfs/dbraw/zinc/04/68/45/1068046845.db2.gz PXOQECYVOLMOCH-XMMPIXPASA-N 2 1 482.717 4.311 20 0 JIADMP Cc1ccccc1-c1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001492563900 1068046861 /nfs/dbraw/zinc/04/68/61/1068046861.db2.gz PXOQECYVOLMOCH-XMMPIXPASA-N 2 1 482.717 4.311 20 0 JIADMP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(C(C)C)n3C[C@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001300332652 1068285100 /nfs/dbraw/zinc/28/51/00/1068285100.db2.gz MWTGRESRDBLFEH-GGAORHGYSA-N 2 1 456.679 4.270 20 0 JIADMP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C4CCC4)n3CCC[N@H+](C)C(C)C)CC2)c1 ZINC001300334670 1068303025 /nfs/dbraw/zinc/30/30/25/1068303025.db2.gz IRFNWAHUFIBCIC-NRFANRHFSA-N 2 1 454.663 4.168 20 0 JIADMP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C4CCC4)n3CCC[N@@H+](C)C(C)C)CC2)c1 ZINC001300334670 1068303049 /nfs/dbraw/zinc/30/30/49/1068303049.db2.gz IRFNWAHUFIBCIC-NRFANRHFSA-N 2 1 454.663 4.168 20 0 JIADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000849492994 1069061783 /nfs/dbraw/zinc/06/17/83/1069061783.db2.gz IGARZWUGSJJDDX-IZLXSDGUSA-N 2 1 471.649 4.035 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849505286 1069084117 /nfs/dbraw/zinc/08/41/17/1069084117.db2.gz GVWWNDCKRYKVII-KAYWLYCHSA-N 2 1 465.686 4.315 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849505286 1069084131 /nfs/dbraw/zinc/08/41/31/1069084131.db2.gz GVWWNDCKRYKVII-KAYWLYCHSA-N 2 1 465.686 4.315 20 0 JIADMP CC(C)[NH+]1CC[C@@H](C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849505286 1069084143 /nfs/dbraw/zinc/08/41/43/1069084143.db2.gz GVWWNDCKRYKVII-KAYWLYCHSA-N 2 1 465.686 4.315 20 0 JIADMP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849510097 1069091836 /nfs/dbraw/zinc/09/18/36/1069091836.db2.gz GZABYPRXTGUQGY-LEWJYISDSA-N 2 1 480.484 4.133 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)C)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001300610696 1069215971 /nfs/dbraw/zinc/21/59/71/1069215971.db2.gz RITLNGOKRNUNHO-OAQYLSRUSA-N 2 1 468.671 4.097 20 0 JIADMP CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000849613973 1069275602 /nfs/dbraw/zinc/27/56/02/1069275602.db2.gz WKJXZLPDFPKYRF-WSZJRCBQSA-N 2 1 453.675 4.116 20 0 JIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C4(CC[C@@]3(C(=O)OCC)C2)CC[NH2+]CC4)nc1 ZINC001164616562 719011176 /nfs/dbraw/zinc/01/11/76/719011176.db2.gz LBFVMAYTMHEBEK-QSEAXJEQSA-N 2 1 454.659 4.168 20 0 JIADMP CSCc1nc2sc3c(c2c(-n2nc(C[N@H+](C)C(C)C)c4c2C[NH2+]CC4)n1)CCCC3 ZINC001164680133 719640150 /nfs/dbraw/zinc/64/01/50/719640150.db2.gz PIFUHSXGMORKHE-UHFFFAOYSA-N 2 1 456.685 4.105 20 0 JIADMP CSCc1nc2sc3c(c2c(-n2nc(C[N@@H+](C)C(C)C)c4c2C[NH2+]CC4)n1)CCCC3 ZINC001164680133 719640162 /nfs/dbraw/zinc/64/01/62/719640162.db2.gz PIFUHSXGMORKHE-UHFFFAOYSA-N 2 1 456.685 4.105 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1C ZINC001164835268 720606024 /nfs/dbraw/zinc/60/60/24/720606024.db2.gz AUYPLEBCKNNZDJ-RJGXRXQPSA-N 2 1 493.725 4.478 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1C ZINC001164835268 720606048 /nfs/dbraw/zinc/60/60/48/720606048.db2.gz AUYPLEBCKNNZDJ-RJGXRXQPSA-N 2 1 493.725 4.478 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)n1 ZINC001164844736 720739566 /nfs/dbraw/zinc/73/95/66/720739566.db2.gz SSPCUUQEOJSFSP-UHFFFAOYSA-N 2 1 467.687 4.399 20 0 JIADMP COc1cc2cc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2cc1OC ZINC001164754575 720893458 /nfs/dbraw/zinc/89/34/58/720893458.db2.gz JLUWEBPWLYDZRB-PWUYWRBVSA-N 2 1 488.632 4.402 20 0 JIADMP COc1cc2cc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2cc1OC ZINC001164754572 720893502 /nfs/dbraw/zinc/89/35/02/720893502.db2.gz JLUWEBPWLYDZRB-OUTSHDOLSA-N 2 1 488.632 4.402 20 0 JIADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCC[NH+](Cc2c(C)noc2C)C3)nc1 ZINC001164780342 721373331 /nfs/dbraw/zinc/37/33/31/721373331.db2.gz GCKBHBVIRRJXGD-BDYUSTAISA-N 2 1 467.658 4.352 20 0 JIADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164780342 721373336 /nfs/dbraw/zinc/37/33/36/721373336.db2.gz GCKBHBVIRRJXGD-BDYUSTAISA-N 2 1 467.658 4.352 20 0 JIADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164780342 721373341 /nfs/dbraw/zinc/37/33/41/721373341.db2.gz GCKBHBVIRRJXGD-BDYUSTAISA-N 2 1 467.658 4.352 20 0 JIADMP COc1cc2cc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2cc1OC ZINC001164904788 721708185 /nfs/dbraw/zinc/70/81/85/721708185.db2.gz DCQDWFXVDSYHRN-XMMPIXPASA-N 2 1 454.521 4.385 20 0 JIADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)C[C@@H]21 ZINC001165018947 721809687 /nfs/dbraw/zinc/80/96/87/721809687.db2.gz BBYBSCRMWIDJSA-RXWNPYQGSA-N 2 1 468.649 4.167 20 0 JIADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)C[C@@H]21 ZINC001165018947 721809688 /nfs/dbraw/zinc/80/96/88/721809688.db2.gz BBYBSCRMWIDJSA-RXWNPYQGSA-N 2 1 468.649 4.167 20 0 JIADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001165018947 721809689 /nfs/dbraw/zinc/80/96/89/721809689.db2.gz BBYBSCRMWIDJSA-RXWNPYQGSA-N 2 1 468.649 4.167 20 0 JIADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001165018947 721809690 /nfs/dbraw/zinc/80/96/90/721809690.db2.gz BBYBSCRMWIDJSA-RXWNPYQGSA-N 2 1 468.649 4.167 20 0 JIADMP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)CC2 ZINC001164945818 721975487 /nfs/dbraw/zinc/97/54/87/721975487.db2.gz GNLYIRJVKPLUMH-UHFFFAOYSA-N 2 1 465.601 4.056 20 0 JIADMP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)CC2 ZINC001164945818 721975490 /nfs/dbraw/zinc/97/54/90/721975490.db2.gz GNLYIRJVKPLUMH-UHFFFAOYSA-N 2 1 465.601 4.056 20 0 JIADMP CC(C)(C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001359511842 1069791139 /nfs/dbraw/zinc/79/11/39/1069791139.db2.gz BXELKKQFSDTDHB-UHFFFAOYSA-N 2 1 481.733 4.099 20 0 JIADMP CC(C)(C)Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001359537033 1069831414 /nfs/dbraw/zinc/83/14/14/1069831414.db2.gz HQTUNZFZBBOUQQ-UHFFFAOYSA-N 2 1 467.706 4.489 20 0 JIADMP CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001359546399 1069850484 /nfs/dbraw/zinc/85/04/84/1069850484.db2.gz DGOZBUVJUDFOQK-UHFFFAOYSA-N 2 1 457.066 4.419 20 0 JIADMP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC001315545276 1064550220 /nfs/dbraw/zinc/55/02/20/1064550220.db2.gz MUAQXNIGXOLOIU-DHIUTWEWSA-N 2 1 482.717 4.490 20 0 JIADMP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC001315545276 1064550230 /nfs/dbraw/zinc/55/02/30/1064550230.db2.gz MUAQXNIGXOLOIU-DHIUTWEWSA-N 2 1 482.717 4.490 20 0 JIADMP COc1ccccc1-c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001315606198 1064721580 /nfs/dbraw/zinc/72/15/80/1064721580.db2.gz AOORIQLPYZKWKV-QFIPXVFZSA-N 2 1 482.698 4.314 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001315642994 1064808925 /nfs/dbraw/zinc/80/89/25/1064808925.db2.gz KBPSACWUZBAZGK-VXKWHMMOSA-N 2 1 468.690 4.027 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001315642994 1064808930 /nfs/dbraw/zinc/80/89/30/1064808930.db2.gz KBPSACWUZBAZGK-VXKWHMMOSA-N 2 1 468.690 4.027 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001315644204 1064811148 /nfs/dbraw/zinc/81/11/48/1064811148.db2.gz ZVSOUTRUCVYQCS-DEOSSOPVSA-N 2 1 482.717 4.318 20 0 JIADMP COC1CC[NH+](C(C)(C)Cn2c(N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001315706763 1064979483 /nfs/dbraw/zinc/97/94/83/1064979483.db2.gz XJADPSNGWCVBAE-HSZRJFAPSA-N 2 1 482.717 4.176 20 0 JIADMP CSC1(Cn2c(CC(C)C)nnc2N2CC[NH+]([C@H](C)c3ccsc3)CC2)CC[NH+](C)CC1 ZINC001316407245 1066190618 /nfs/dbraw/zinc/19/06/18/1066190618.db2.gz LMVHQGRTNOZQTF-HXUWFJFHSA-N 2 1 476.760 4.249 20 0 JIADMP CSC1(Cn2c(CC(C)(C)C)nnc2N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC001316408451 1066192794 /nfs/dbraw/zinc/19/27/94/1066192794.db2.gz RMYBIHZXKOEIPN-QHCPKHFHSA-N 2 1 484.758 4.405 20 0 JIADMP Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2CC[NH+](CCC(C)C)CC2)n1 ZINC001492515694 1066361269 /nfs/dbraw/zinc/36/12/69/1066361269.db2.gz FCAJTPIJQDJWPK-UHFFFAOYSA-N 2 1 467.706 4.327 20 0 JIADMP Cc1cccc(OCc2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001492545453 1066735651 /nfs/dbraw/zinc/73/56/51/1066735651.db2.gz BXSXLOOQKZXESL-QHCPKHFHSA-N 2 1 468.690 4.208 20 0 JIADMP Cc1cccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[NH+]2CCC[C@H](C)C2)c1 ZINC001492545453 1066735660 /nfs/dbraw/zinc/73/56/60/1066735660.db2.gz BXSXLOOQKZXESL-QHCPKHFHSA-N 2 1 468.690 4.208 20 0 JIADMP Cc1cccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC[NH+]2CCC[C@H](C)C2)c1 ZINC001492545453 1066735670 /nfs/dbraw/zinc/73/56/70/1066735670.db2.gz BXSXLOOQKZXESL-QHCPKHFHSA-N 2 1 468.690 4.208 20 0 JIADMP COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300043544 1067483201 /nfs/dbraw/zinc/48/32/01/1067483201.db2.gz GSFMUENTPOCPRS-XMMPIXPASA-N 2 1 484.689 4.050 20 0 JIADMP COc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCC[NH+]2CCC(C)CC2)cc1OC ZINC001300061428 1067564294 /nfs/dbraw/zinc/56/42/94/1067564294.db2.gz HIDJWMQTNLMQEL-UHFFFAOYSA-N 2 1 498.716 4.395 20 0 JIADMP Cc1ccccc1-c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CC(C)(C)C[NH+](C)C ZINC001492559528 1067885116 /nfs/dbraw/zinc/88/51/16/1067885116.db2.gz DRAZQZOWXWIUGX-WIOPSUGQSA-N 2 1 492.716 4.094 20 0 JIADMP COc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001300291376 1068096695 /nfs/dbraw/zinc/09/66/95/1068096695.db2.gz MILADKMTOCTUDV-UHFFFAOYSA-N 2 1 484.689 4.051 20 0 JIADMP COc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001300390204 1068503889 /nfs/dbraw/zinc/50/38/89/1068503889.db2.gz UDWUWIOIZQNSJZ-QFIPXVFZSA-N 2 1 468.690 4.242 20 0 JIADMP COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)c2)cc1 ZINC001200515988 1068804732 /nfs/dbraw/zinc/80/47/32/1068804732.db2.gz XJWBDKRDXYWHDI-UHFFFAOYSA-N 2 1 457.640 4.383 20 0 JIADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccccc1Cl ZINC000849483161 1069051206 /nfs/dbraw/zinc/05/12/06/1069051206.db2.gz FXHVVGWMEZHJJO-ODGPQVTHSA-N 2 1 460.066 4.087 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849492110 1069059466 /nfs/dbraw/zinc/05/94/66/1069059466.db2.gz BYHHSUUWHRANPV-NSOVKSMOSA-N 2 1 473.665 4.279 20 0 JIADMP CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2Cl)CC1 ZINC000849505590 1069087254 /nfs/dbraw/zinc/08/72/54/1069087254.db2.gz IIQDYUISKRRMRR-DHIUTWEWSA-N 2 1 487.092 4.058 20 0 JIADMP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849510098 1069091871 /nfs/dbraw/zinc/09/18/71/1069091871.db2.gz GZABYPRXTGUQGY-NHCUHLMSSA-N 2 1 480.484 4.133 20 0 JIADMP CC(C)[N@H+]1CC[C@H](C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849545677 1069182641 /nfs/dbraw/zinc/18/26/41/1069182641.db2.gz WFOCZPZIMACBDD-GVXSCFBNSA-N 2 1 451.659 4.014 20 0 JIADMP COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001300610868 1069217278 /nfs/dbraw/zinc/21/72/78/1069217278.db2.gz UXXISMWITGGVMX-JOCHJYFZSA-N 2 1 468.690 4.027 20 0 JIADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C(C)C)C[C@H]2c2cnn(C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000849578892 1069230952 /nfs/dbraw/zinc/23/09/52/1069230952.db2.gz YFNPUELZSQXPJN-KXTAGPOFSA-N 2 1 490.067 4.367 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C(C)C)C[C@H]2c2cnn(C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000849578892 1069230963 /nfs/dbraw/zinc/23/09/63/1069230963.db2.gz YFNPUELZSQXPJN-KXTAGPOFSA-N 2 1 490.067 4.367 20 0 JIADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000849578892 1069230969 /nfs/dbraw/zinc/23/09/69/1069230969.db2.gz YFNPUELZSQXPJN-KXTAGPOFSA-N 2 1 490.067 4.367 20 0 JIADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000849578892 1069230975 /nfs/dbraw/zinc/23/09/75/1069230975.db2.gz YFNPUELZSQXPJN-KXTAGPOFSA-N 2 1 490.067 4.367 20 0 JIADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000849592012 1069244315 /nfs/dbraw/zinc/24/43/15/1069244315.db2.gz MFYKIAIHGALLCX-RBZQAINGSA-N 2 1 460.066 4.087 20 0 JIADMP CCC[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000849592012 1069244328 /nfs/dbraw/zinc/24/43/28/1069244328.db2.gz MFYKIAIHGALLCX-RBZQAINGSA-N 2 1 460.066 4.087 20 0 JIADMP CCC[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000849592012 1069244343 /nfs/dbraw/zinc/24/43/43/1069244343.db2.gz MFYKIAIHGALLCX-RBZQAINGSA-N 2 1 460.066 4.087 20 0 JIADMP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849597900 1069253915 /nfs/dbraw/zinc/25/39/15/1069253915.db2.gz WQNCMWYWNRINMZ-SSBOKUKZSA-N 2 1 493.740 4.426 20 0 JIADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849597900 1069253923 /nfs/dbraw/zinc/25/39/23/1069253923.db2.gz WQNCMWYWNRINMZ-SSBOKUKZSA-N 2 1 493.740 4.426 20 0 JIADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849597900 1069253934 /nfs/dbraw/zinc/25/39/34/1069253934.db2.gz WQNCMWYWNRINMZ-SSBOKUKZSA-N 2 1 493.740 4.426 20 0 JIADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000849600412 1069256443 /nfs/dbraw/zinc/25/64/43/1069256443.db2.gz HGMSTTOWNVSSQN-IARZGTGTSA-N 2 1 477.697 4.139 20 0 JIADMP CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849606013 1069262579 /nfs/dbraw/zinc/26/25/79/1069262579.db2.gz LGILVDSJRPZLFP-RPWUZVMVSA-N 2 1 455.672 4.061 20 0 JIADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)n2)CC1 ZINC001164666452 719443252 /nfs/dbraw/zinc/44/32/52/719443252.db2.gz CMAYNKQELQGTJI-MOPGFXCFSA-N 2 1 469.680 4.171 20 0 JIADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)n2)CC1 ZINC001164666452 719443255 /nfs/dbraw/zinc/44/32/55/719443255.db2.gz CMAYNKQELQGTJI-MOPGFXCFSA-N 2 1 469.680 4.171 20 0 JIADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3cc(OC)c(OC)cc31)CC2 ZINC001164716236 720121678 /nfs/dbraw/zinc/12/16/78/720121678.db2.gz JLYYSXIXPMSWOO-JOCHJYFZSA-N 2 1 462.594 4.155 20 0 JIADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3cc(OC)c(OC)cc3c[nH+]1)CC2 ZINC001164710549 720147025 /nfs/dbraw/zinc/14/70/25/720147025.db2.gz CFHMXOBRPSVPDA-QHCPKHFHSA-N 2 1 462.594 4.155 20 0 JIADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164815654 720170574 /nfs/dbraw/zinc/17/05/74/720170574.db2.gz ISDFARGWWSPNBS-LYZGTLIUSA-N 2 1 495.737 4.351 20 0 JIADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164815654 720170585 /nfs/dbraw/zinc/17/05/85/720170585.db2.gz ISDFARGWWSPNBS-LYZGTLIUSA-N 2 1 495.737 4.351 20 0 JIADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164815660 720170953 /nfs/dbraw/zinc/17/09/53/720170953.db2.gz ISDFARGWWSPNBS-RBTNQOKQSA-N 2 1 495.737 4.351 20 0 JIADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164815660 720170955 /nfs/dbraw/zinc/17/09/55/720170955.db2.gz ISDFARGWWSPNBS-RBTNQOKQSA-N 2 1 495.737 4.351 20 0 JIADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827491 720339170 /nfs/dbraw/zinc/33/91/70/720339170.db2.gz MHIOTEOHDLYQNA-FGZHOGPDSA-N 2 1 498.741 4.061 20 0 JIADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757479 720894632 /nfs/dbraw/zinc/89/46/32/720894632.db2.gz VDASGNZTEFDHRS-LBNVMWSVSA-N 2 1 496.099 4.481 20 0 JIADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757479 720894633 /nfs/dbraw/zinc/89/46/33/720894633.db2.gz VDASGNZTEFDHRS-LBNVMWSVSA-N 2 1 496.099 4.481 20 0 JIADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2[nH+]ccc3c2ccn3Cc2ccccc2)[C@@H]2CCCO[C@@H]12 ZINC001164804655 721561460 /nfs/dbraw/zinc/56/14/60/721561460.db2.gz LENCKRHPJIFHHB-ZONZVBGPSA-N 2 1 453.590 4.348 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@H]43)c2c1C ZINC001164958051 722051415 /nfs/dbraw/zinc/05/14/15/722051415.db2.gz BCVRDDBIXMCMMF-YOSAUDMPSA-N 2 1 478.666 4.204 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164974322 722141921 /nfs/dbraw/zinc/14/19/21/722141921.db2.gz DGJZSOHSWUAQGX-PKTZIBPZSA-N 2 1 492.693 4.026 20 0 JIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164974322 722141923 /nfs/dbraw/zinc/14/19/23/722141923.db2.gz DGJZSOHSWUAQGX-PKTZIBPZSA-N 2 1 492.693 4.026 20 0 JIADMP