smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@]1(C[N@H+](C)Cc2ccc(Cl)s2)CCC[NH2+]C1 ZINC000062862519 184257222 /nfs/dbraw/zinc/25/72/22/184257222.db2.gz OCGSXMWLVMEWSQ-HNNXBMFYSA-N 2 1 300.899 4.003 10 0 DIAEMP CCC[C@]1(C[N@@H+](C)Cc2ccc(Cl)s2)CCC[NH2+]C1 ZINC000062862519 184257224 /nfs/dbraw/zinc/25/72/24/184257224.db2.gz OCGSXMWLVMEWSQ-HNNXBMFYSA-N 2 1 300.899 4.003 10 0 DIAEMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3sc4ccccc4c3Cl)C[C@H]21 ZINC000228472829 333385917 /nfs/dbraw/zinc/38/59/17/333385917.db2.gz IGNQYYLYNXFGPH-IACUBPJLSA-N 2 1 320.889 4.114 10 0 DIAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1csc2ccccc12 ZINC000178330767 337163963 /nfs/dbraw/zinc/16/39/63/337163963.db2.gz PAJSBFVKUIIJJL-MRXNPFEDSA-N 2 1 311.454 4.071 10 0 DIAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1csc2ccccc12 ZINC000178330767 337163964 /nfs/dbraw/zinc/16/39/64/337163964.db2.gz PAJSBFVKUIIJJL-MRXNPFEDSA-N 2 1 311.454 4.071 10 0 DIAEMP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)c3ccc(F)cc3)C2)[nH+]1 ZINC000246204070 341333589 /nfs/dbraw/zinc/33/35/89/341333589.db2.gz YFYGZSXJSMIYSG-HZPDHXFCSA-N 2 1 313.420 4.024 10 0 DIAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)c3ccc(F)cc3)C2)[nH+]1 ZINC000246204070 341333590 /nfs/dbraw/zinc/33/35/90/341333590.db2.gz YFYGZSXJSMIYSG-HZPDHXFCSA-N 2 1 313.420 4.024 10 0 DIAEMP CCC[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccccn1 ZINC000158877459 1039597010 /nfs/dbraw/zinc/59/70/10/1039597010.db2.gz UGDIWAOXMDXFKD-HXUWFJFHSA-N 2 1 315.505 4.167 10 0 DIAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000178530701 337163500 /nfs/dbraw/zinc/16/35/00/337163500.db2.gz SIUMIWURGRDXBX-INIZCTEOSA-N 2 1 309.413 4.029 10 0 DIAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000178530701 337163501 /nfs/dbraw/zinc/16/35/01/337163501.db2.gz SIUMIWURGRDXBX-INIZCTEOSA-N 2 1 309.413 4.029 10 0 DIAEMP C[C@H](CCC[NH+]1CC=CC1)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000584637424 337379605 /nfs/dbraw/zinc/37/96/05/337379605.db2.gz NTUWYFUDVZIEEO-CQSZACIVSA-N 2 1 315.848 4.341 10 0 DIAEMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccccc3C)CC2)[nH+]1 ZINC000128190900 337424388 /nfs/dbraw/zinc/42/43/88/337424388.db2.gz BELCDGXQADYUIY-KRWDZBQOSA-N 2 1 309.457 4.018 10 0 DIAEMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000020021071 182179820 /nfs/dbraw/zinc/17/98/20/182179820.db2.gz MZOWZVUWXZDVCI-NSHDSACASA-N 2 1 303.277 4.232 10 0 DIAEMP CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)c(Br)c1 ZINC000061698348 184183833 /nfs/dbraw/zinc/18/38/33/184183833.db2.gz CQPOJWQWQJJNBB-LLVKDONJSA-N 2 1 322.250 4.004 10 0 DIAEMP Cc1[nH+]c2ccccc2c(N2CCC([N@@H+]3CCC[C@H]3C)CC2)c1C ZINC000302059526 336346091 /nfs/dbraw/zinc/34/60/91/336346091.db2.gz BXEMOUPYKAGJTJ-OAHLLOKOSA-N 2 1 323.484 4.305 10 0 DIAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000178530695 337163486 /nfs/dbraw/zinc/16/34/86/337163486.db2.gz SIUMIWURGRDXBX-MRXNPFEDSA-N 2 1 309.413 4.029 10 0 DIAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000178530695 337163487 /nfs/dbraw/zinc/16/34/87/337163487.db2.gz SIUMIWURGRDXBX-MRXNPFEDSA-N 2 1 309.413 4.029 10 0 DIAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000180120284 337171449 /nfs/dbraw/zinc/17/14/49/337171449.db2.gz PEUMXIZNQZSAEN-SFHVURJKSA-N 2 1 321.424 4.116 10 0 DIAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000180120284 337171450 /nfs/dbraw/zinc/17/14/50/337171450.db2.gz PEUMXIZNQZSAEN-SFHVURJKSA-N 2 1 321.424 4.116 10 0 DIAEMP CCC[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1cccnc1 ZINC000185230329 337203493 /nfs/dbraw/zinc/20/34/93/337203493.db2.gz CFNRWHYHRTUGJR-FQEVSTJZSA-N 2 1 315.505 4.167 10 0 DIAEMP CCc1[nH+]ccn1[C@@H]1CCCN(c2cc[nH+]c3ccc(C)cc32)C1 ZINC000185654557 337249921 /nfs/dbraw/zinc/24/99/21/337249921.db2.gz BDUCCJHSGKAQKD-MRXNPFEDSA-N 2 1 320.440 4.144 10 0 DIAEMP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)c3ccc(F)cc3)C2)[nH+]1 ZINC000246204063 341333620 /nfs/dbraw/zinc/33/36/20/341333620.db2.gz YFYGZSXJSMIYSG-CVEARBPZSA-N 2 1 313.420 4.024 10 0 DIAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)c3ccc(F)cc3)C2)[nH+]1 ZINC000246204063 341333621 /nfs/dbraw/zinc/33/36/21/341333621.db2.gz YFYGZSXJSMIYSG-CVEARBPZSA-N 2 1 313.420 4.024 10 0 DIAEMP Cc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](CC3CCCC3)CC2)s1 ZINC000178159256 337162694 /nfs/dbraw/zinc/16/26/94/337162694.db2.gz AOQMEIRKPVHLNX-CQSZACIVSA-N 2 1 321.534 4.065 10 0 DIAEMP C/C(=C\c1ccccc1)C[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000192688399 337306916 /nfs/dbraw/zinc/30/69/16/337306916.db2.gz KFLHMWQSRIAHSQ-NBVRZTHBSA-N 2 1 321.468 4.052 10 0 DIAEMP CC[C@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)c1cccs1 ZINC000128136660 337424080 /nfs/dbraw/zinc/42/40/80/337424080.db2.gz LLIAIVRLMDNSOT-INIZCTEOSA-N 2 1 315.486 4.161 10 0 DIAEMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccccc3C)CC2)[nH+]1 ZINC000128190648 337424396 /nfs/dbraw/zinc/42/43/96/337424396.db2.gz BELCDGXQADYUIY-QGZVFWFLSA-N 2 1 309.457 4.018 10 0 DIAEMP Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)s1 ZINC000163449132 525722368 /nfs/dbraw/zinc/72/23/68/525722368.db2.gz LRYSIBFPWKVKBY-OAHLLOKOSA-N 2 1 315.486 4.080 10 0 DIAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1csc2ccccc12 ZINC000178330754 337164003 /nfs/dbraw/zinc/16/40/03/337164003.db2.gz PAJSBFVKUIIJJL-INIZCTEOSA-N 2 1 311.454 4.071 10 0 DIAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1csc2ccccc12 ZINC000178330754 337164004 /nfs/dbraw/zinc/16/40/04/337164004.db2.gz PAJSBFVKUIIJJL-INIZCTEOSA-N 2 1 311.454 4.071 10 0 DIAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc2ccccc2s1 ZINC000180123585 337171489 /nfs/dbraw/zinc/17/14/89/337171489.db2.gz JTNJEMHZJOJJOP-MRXNPFEDSA-N 2 1 311.454 4.071 10 0 DIAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc2ccccc2s1 ZINC000180123585 337171490 /nfs/dbraw/zinc/17/14/90/337171490.db2.gz JTNJEMHZJOJJOP-MRXNPFEDSA-N 2 1 311.454 4.071 10 0 DIAEMP C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccc(Cl)nc1 ZINC000181404019 337181804 /nfs/dbraw/zinc/18/18/04/337181804.db2.gz PBWYUZNQFVPQOZ-CQSZACIVSA-N 2 1 321.896 4.040 10 0 DIAEMP Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)s1 ZINC000128075297 1046490262 /nfs/dbraw/zinc/49/02/62/1046490262.db2.gz REZVFCIZWUKDTC-OAHLLOKOSA-N 2 1 315.486 4.080 10 0 DIAEMP Cc1cncc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000248713419 1046850674 /nfs/dbraw/zinc/85/06/74/1046850674.db2.gz JYROJYYUEKRLHW-WFXMLNOXSA-N 2 1 323.484 4.094 10 0 DIAEMP Cc1cncc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000248713419 1046850676 /nfs/dbraw/zinc/85/06/76/1046850676.db2.gz JYROJYYUEKRLHW-WFXMLNOXSA-N 2 1 323.484 4.094 10 0 DIAEMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000128510879 332012823 /nfs/dbraw/zinc/01/28/23/332012823.db2.gz AWSZDMAZMJWGAN-WFASDCNBSA-N 2 1 302.384 4.072 10 0 DIAEMP CC(C)[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390672063 333313057 /nfs/dbraw/zinc/31/30/57/333313057.db2.gz OAUNNPAOTAGWOU-VOBGVNJCSA-N 2 1 300.490 4.064 10 0 DIAEMP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3F)C2)[nH+]1 ZINC000246197893 341332807 /nfs/dbraw/zinc/33/28/07/341332807.db2.gz XKEMFFUFKPNFGN-CVEARBPZSA-N 2 1 313.420 4.024 10 0 DIAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)c3ccccc3F)C2)[nH+]1 ZINC000246197893 341332808 /nfs/dbraw/zinc/33/28/08/341332808.db2.gz XKEMFFUFKPNFGN-CVEARBPZSA-N 2 1 313.420 4.024 10 0 DIAEMP CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)c(Br)c1 ZINC000061698347 184183921 /nfs/dbraw/zinc/18/39/21/184183921.db2.gz CQPOJWQWQJJNBB-NSHDSACASA-N 2 1 322.250 4.004 10 0 DIAEMP CCc1[nH+]ccn1[C@H]1CCCN(c2cc[nH+]c3ccc(C)cc32)C1 ZINC000185654579 337249952 /nfs/dbraw/zinc/24/99/52/337249952.db2.gz BDUCCJHSGKAQKD-INIZCTEOSA-N 2 1 320.440 4.144 10 0 DIAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2s1 ZINC000180123566 337171412 /nfs/dbraw/zinc/17/14/12/337171412.db2.gz JTNJEMHZJOJJOP-INIZCTEOSA-N 2 1 311.454 4.071 10 0 DIAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc2ccccc2s1 ZINC000180123566 337171413 /nfs/dbraw/zinc/17/14/13/337171413.db2.gz JTNJEMHZJOJJOP-INIZCTEOSA-N 2 1 311.454 4.071 10 0 DIAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)c1cccc(Cl)c1F ZINC000187126171 337262784 /nfs/dbraw/zinc/26/27/84/337262784.db2.gz TWMBACXRYVRRBW-GXTWGEPZSA-N 2 1 321.827 4.210 10 0 DIAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)c1cccc(Cl)c1F ZINC000187126171 337262785 /nfs/dbraw/zinc/26/27/85/337262785.db2.gz TWMBACXRYVRRBW-GXTWGEPZSA-N 2 1 321.827 4.210 10 0 DIAEMP CC(C)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000437077636 338299603 /nfs/dbraw/zinc/29/96/03/338299603.db2.gz OYIGDEUKIVEJFP-IHWFROFDSA-N 2 1 314.517 4.454 10 0 DIAEMP Cc1ccc(N2CCC([NH2+][C@H](C)c3ccccc3C)CC2)[nH+]c1 ZINC000163511859 524942289 /nfs/dbraw/zinc/94/22/89/524942289.db2.gz AVOWSVBWRXCWAN-QGZVFWFLSA-N 2 1 309.457 4.018 10 0 DIAEMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000178000822 333000952 /nfs/dbraw/zinc/00/09/52/333000952.db2.gz UQYWULQZRRLAJZ-KRWDZBQOSA-N 2 1 316.489 4.141 10 0 DIAEMP Cc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](CC3CCCC3)CC2)s1 ZINC000178159270 337162773 /nfs/dbraw/zinc/16/27/73/337162773.db2.gz AOQMEIRKPVHLNX-AWEZNQCLSA-N 2 1 321.534 4.065 10 0 DIAEMP C/C(=C\c1ccccc1)C[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000192685800 337306925 /nfs/dbraw/zinc/30/69/25/337306925.db2.gz RDSNPMJFZLZHKH-BMRADRMJSA-N 2 1 321.468 4.052 10 0 DIAEMP Cc1ccc([C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)s1 ZINC000128075086 1046490180 /nfs/dbraw/zinc/49/01/80/1046490180.db2.gz REZVFCIZWUKDTC-HNNXBMFYSA-N 2 1 315.486 4.080 10 0 DIAEMP CC[NH+](CC)CCCNc1[nH+]c2ccccc2n1CCC(C)C ZINC000006869484 190626098 /nfs/dbraw/zinc/62/60/98/190626098.db2.gz RIKYGYNOAOPKRN-UHFFFAOYSA-N 2 1 316.493 4.226 10 0 DIAEMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000020021068 182179564 /nfs/dbraw/zinc/17/95/64/182179564.db2.gz MZOWZVUWXZDVCI-LLVKDONJSA-N 2 1 303.277 4.232 10 0 DIAEMP Cc1[nH+]c2ccccc2c(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)c1C ZINC000302059525 336346064 /nfs/dbraw/zinc/34/60/64/336346064.db2.gz BXEMOUPYKAGJTJ-HNNXBMFYSA-N 2 1 323.484 4.305 10 0 DIAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000180120301 337171385 /nfs/dbraw/zinc/17/13/85/337171385.db2.gz PEUMXIZNQZSAEN-GOSISDBHSA-N 2 1 321.424 4.116 10 0 DIAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000180120301 337171386 /nfs/dbraw/zinc/17/13/86/337171386.db2.gz PEUMXIZNQZSAEN-GOSISDBHSA-N 2 1 321.424 4.116 10 0 DIAEMP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)c3ccccc3F)C2)[nH+]1 ZINC000246197902 341332874 /nfs/dbraw/zinc/33/28/74/341332874.db2.gz XKEMFFUFKPNFGN-HZPDHXFCSA-N 2 1 313.420 4.024 10 0 DIAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)c3ccccc3F)C2)[nH+]1 ZINC000246197902 341332875 /nfs/dbraw/zinc/33/28/75/341332875.db2.gz XKEMFFUFKPNFGN-HZPDHXFCSA-N 2 1 313.420 4.024 10 0 DIAEMP CC[C@@H]([NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1)c1cccs1 ZINC000163484018 1042312259 /nfs/dbraw/zinc/31/22/59/1042312259.db2.gz AOJSRAWLBKOHSO-MRXNPFEDSA-N 2 1 315.486 4.161 10 0 DIAEMP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000248713413 1046849950 /nfs/dbraw/zinc/84/99/50/1046849950.db2.gz JYROJYYUEKRLHW-BBTUJRGHSA-N 2 1 323.484 4.094 10 0 DIAEMP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000248713413 1046849976 /nfs/dbraw/zinc/84/99/76/1046849976.db2.gz JYROJYYUEKRLHW-BBTUJRGHSA-N 2 1 323.484 4.094 10 0 DIAEMP CCC[C@@]1(C[N@H+](C)Cc2ccc(Cl)s2)CCC[NH2+]C1 ZINC000062862520 184256846 /nfs/dbraw/zinc/25/68/46/184256846.db2.gz OCGSXMWLVMEWSQ-OAHLLOKOSA-N 2 1 300.899 4.003 10 0 DIAEMP CCC[C@@]1(C[N@@H+](C)Cc2ccc(Cl)s2)CCC[NH2+]C1 ZINC000062862520 184256848 /nfs/dbraw/zinc/25/68/48/184256848.db2.gz OCGSXMWLVMEWSQ-OAHLLOKOSA-N 2 1 300.899 4.003 10 0 DIAEMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000178000835 333000977 /nfs/dbraw/zinc/00/09/77/333000977.db2.gz UQYWULQZRRLAJZ-QGZVFWFLSA-N 2 1 316.489 4.141 10 0 DIAEMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228470845 333385843 /nfs/dbraw/zinc/38/58/43/333385843.db2.gz KLLBHBSAKJRZMO-YHYOWMERSA-N 2 1 313.272 4.114 10 0 DIAEMP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228470845 333385844 /nfs/dbraw/zinc/38/58/44/333385844.db2.gz KLLBHBSAKJRZMO-YHYOWMERSA-N 2 1 313.272 4.114 10 0 DIAEMP CCC[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccccn1 ZINC000158877343 1039595314 /nfs/dbraw/zinc/59/53/14/1039595314.db2.gz UGDIWAOXMDXFKD-FQEVSTJZSA-N 2 1 315.505 4.167 10 0 DIAEMP CCC[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1cccnc1 ZINC000185230348 337203399 /nfs/dbraw/zinc/20/33/99/337203399.db2.gz CFNRWHYHRTUGJR-HXUWFJFHSA-N 2 1 315.505 4.167 10 0 DIAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)c1ccc(F)c(Cl)c1 ZINC000247223621 341362430 /nfs/dbraw/zinc/36/24/30/341362430.db2.gz YTEKQOUJSIHFIV-IUODEOHRSA-N 2 1 321.827 4.210 10 0 DIAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)c1ccc(F)c(Cl)c1 ZINC000247223621 341362431 /nfs/dbraw/zinc/36/24/31/341362431.db2.gz YTEKQOUJSIHFIV-IUODEOHRSA-N 2 1 321.827 4.210 10 0 DIAEMP CC[C@@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)c1cccs1 ZINC000128136841 517774276 /nfs/dbraw/zinc/77/42/76/517774276.db2.gz LLIAIVRLMDNSOT-MRXNPFEDSA-N 2 1 315.486 4.161 10 0 DIAEMP Cc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)s1 ZINC000163449027 525916268 /nfs/dbraw/zinc/91/62/68/525916268.db2.gz LRYSIBFPWKVKBY-HNNXBMFYSA-N 2 1 315.486 4.080 10 0 DIAEMP C[C@@H](CCC[NH+]1CC=CC1)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000584637423 337379609 /nfs/dbraw/zinc/37/96/09/337379609.db2.gz NTUWYFUDVZIEEO-AWEZNQCLSA-N 2 1 315.848 4.341 10 0 DIAEMP CC[C@H]([NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1)c1cccs1 ZINC000163483903 1042311611 /nfs/dbraw/zinc/31/16/11/1042311611.db2.gz AOJSRAWLBKOHSO-INIZCTEOSA-N 2 1 315.486 4.161 10 0 DIAEMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000128510688 332012765 /nfs/dbraw/zinc/01/27/65/332012765.db2.gz AWSZDMAZMJWGAN-SWLSCSKDSA-N 2 1 302.384 4.072 10 0 DIAEMP CC(C)[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390672060 333313141 /nfs/dbraw/zinc/31/31/41/333313141.db2.gz OAUNNPAOTAGWOU-OHSMVPPVSA-N 2 1 300.490 4.064 10 0 DIAEMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228474530 333385704 /nfs/dbraw/zinc/38/57/04/333385704.db2.gz FQLVKRDHNBLOPI-QZDOHJIMSA-N 2 1 313.272 4.114 10 0 DIAEMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228474530 333385706 /nfs/dbraw/zinc/38/57/06/333385706.db2.gz FQLVKRDHNBLOPI-QZDOHJIMSA-N 2 1 313.272 4.114 10 0 DIAEMP C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccc(Cl)nc1 ZINC000181403999 337181889 /nfs/dbraw/zinc/18/18/89/337181889.db2.gz PBWYUZNQFVPQOZ-AWEZNQCLSA-N 2 1 321.896 4.040 10 0 DIAEMP COc1ccsc1[C@H](C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000186137155 337253894 /nfs/dbraw/zinc/25/38/94/337253894.db2.gz ALXBCOZSCDFLOI-AWEZNQCLSA-N 2 1 322.518 4.062 10 0 DIAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)c1cccc(Cl)c1F ZINC000187126157 337262740 /nfs/dbraw/zinc/26/27/40/337262740.db2.gz TWMBACXRYVRRBW-JSGCOSHPSA-N 2 1 321.827 4.210 10 0 DIAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)c1cccc(Cl)c1F ZINC000187126157 337262741 /nfs/dbraw/zinc/26/27/41/337262741.db2.gz TWMBACXRYVRRBW-JSGCOSHPSA-N 2 1 321.827 4.210 10 0 DIAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3sc4ccccc4c3Cl)C[C@H]21 ZINC000228472820 333385849 /nfs/dbraw/zinc/38/58/49/333385849.db2.gz IGNQYYLYNXFGPH-MRVWCRGKSA-N 2 1 320.889 4.114 10 0 DIAEMP COc1ccsc1[C@@H](C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000186137172 337253932 /nfs/dbraw/zinc/25/39/32/337253932.db2.gz ALXBCOZSCDFLOI-CQSZACIVSA-N 2 1 322.518 4.062 10 0 DIAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)c1ccc(F)c(Cl)c1 ZINC000247223609 341362410 /nfs/dbraw/zinc/36/24/10/341362410.db2.gz YTEKQOUJSIHFIV-DOMZBBRYSA-N 2 1 321.827 4.210 10 0 DIAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)c1ccc(F)c(Cl)c1 ZINC000247223609 341362411 /nfs/dbraw/zinc/36/24/11/341362411.db2.gz YTEKQOUJSIHFIV-DOMZBBRYSA-N 2 1 321.827 4.210 10 0 DIAEMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccccc3C)CC2)[nH+]c1 ZINC000163511766 524943655 /nfs/dbraw/zinc/94/36/55/524943655.db2.gz AVOWSVBWRXCWAN-KRWDZBQOSA-N 2 1 309.457 4.018 10 0 DIAEMP