smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(C[N@@H+]2CCCC23CCN(c2[nH+]c(C)cc(Cl)c2C)CC3)cs1	ZINC001164694526	719809839	/nfs/dbraw/zinc/80/98/39/719809839.db2.gz	ZODSFQOVTVOEJO-UHFFFAOYSA-N	2	2	390.984	4.752	20	0		GJADLP
Cc1nc(C[N@H+]2CCCC23CCN(c2[nH+]c(C)cc(Cl)c2C)CC3)cs1	ZINC001164694526	719809841	/nfs/dbraw/zinc/80/98/41/719809841.db2.gz	ZODSFQOVTVOEJO-UHFFFAOYSA-N	2	2	390.984	4.752	20	0		GJADLP
Cc1cc(Cl)c(C)c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1	ZINC001164841989	720696618	/nfs/dbraw/zinc/69/66/18/720696618.db2.gz	KVFPLHSKCFPHRS-FQEVSTJZSA-N	2	2	399.966	4.612	20	0		GJADLP
Cc1cc(Cl)c(C)c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1	ZINC001164841989	720696621	/nfs/dbraw/zinc/69/66/21/720696621.db2.gz	KVFPLHSKCFPHRS-FQEVSTJZSA-N	2	2	399.966	4.612	20	0		GJADLP
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C(C)(C)C)c[nH+]1)CC2	ZINC001164837032	720727404	/nfs/dbraw/zinc/72/74/04/720727404.db2.gz	CXOXFEXJBJBGSW-JOCHJYFZSA-N	2	2	393.575	4.639	20	0		GJADLP
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C(C)(C)C)c[nH+]1)CC2	ZINC001164837032	720727408	/nfs/dbraw/zinc/72/74/08/720727408.db2.gz	CXOXFEXJBJBGSW-JOCHJYFZSA-N	2	2	393.575	4.639	20	0		GJADLP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(C)(C)C)c[nH+]3)C[C@H]21	ZINC001165025280	721831397	/nfs/dbraw/zinc/83/13/97/721831397.db2.gz	MOGDBMWHSGETQJ-STZQEDGTSA-N	2	2	378.564	4.511	20	0		GJADLP
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(C)(C)C)c[nH+]3)C[C@H]21	ZINC001165025280	721831398	/nfs/dbraw/zinc/83/13/98/721831398.db2.gz	MOGDBMWHSGETQJ-STZQEDGTSA-N	2	2	378.564	4.511	20	0		GJADLP
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4[nH+]c(C)cc(Cl)c4C)CC3)C2)cc1	ZINC001164939354	721927509	/nfs/dbraw/zinc/92/75/09/721927509.db2.gz	JRTIHAILFQGQID-UHFFFAOYSA-N	2	2	399.966	4.532	20	0		GJADLP
Cc1ccc(C[N@H+]2CCOC3(CCN(c4[nH+]c(C)cc(Cl)c4C)CC3)C2)cc1	ZINC001164939354	721927510	/nfs/dbraw/zinc/92/75/10/721927510.db2.gz	JRTIHAILFQGQID-UHFFFAOYSA-N	2	2	399.966	4.532	20	0		GJADLP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(C)(C)C)c[nH+]3)C[C@@H]21	ZINC001165025277	721831391	/nfs/dbraw/zinc/83/13/91/721831391.db2.gz	MOGDBMWHSGETQJ-BVYCBKJFSA-N	2	2	378.564	4.511	20	0		GJADLP
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(C)(C)C)c[nH+]3)C[C@@H]21	ZINC001165025277	721831392	/nfs/dbraw/zinc/83/13/92/721831392.db2.gz	MOGDBMWHSGETQJ-BVYCBKJFSA-N	2	2	378.564	4.511	20	0		GJADLP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4ccccc4)cc[nH+]3)C[C@H]21	ZINC001165022234	721806394	/nfs/dbraw/zinc/80/63/94/721806394.db2.gz	IIWHHWUDNKNQIR-QLBJFCOMSA-N	2	2	398.554	4.881	20	0		GJADLP
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4ccccc4)cc[nH+]3)C[C@H]21	ZINC001165022234	721806395	/nfs/dbraw/zinc/80/63/95/721806395.db2.gz	IIWHHWUDNKNQIR-QLBJFCOMSA-N	2	2	398.554	4.881	20	0		GJADLP
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(C(C)(C)C)c[nH+]4)CC3)C2)cc1	ZINC001164939851	721933808	/nfs/dbraw/zinc/93/38/08/721933808.db2.gz	BNPGFJKVRVBQCT-UHFFFAOYSA-N	2	2	393.575	4.559	20	0		GJADLP
Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(C(C)(C)C)c[nH+]4)CC3)C2)cc1	ZINC001164939851	721933810	/nfs/dbraw/zinc/93/38/10/721933810.db2.gz	BNPGFJKVRVBQCT-UHFFFAOYSA-N	2	2	393.575	4.559	20	0		GJADLP
Cc1nc(C[N@@H+]2CCCC23CCN(c2[nH+]ccc4ccc(C)cc42)CC3)cs1	ZINC001164693948	719808357	/nfs/dbraw/zinc/80/83/57/719808357.db2.gz	SOVUUNVYBRQRJY-UHFFFAOYSA-N	2	2	392.572	4.943	20	0		GJADLP
Cc1nc(C[N@H+]2CCCC23CCN(c2[nH+]ccc4ccc(C)cc42)CC3)cs1	ZINC001164693948	719808358	/nfs/dbraw/zinc/80/83/58/719808358.db2.gz	SOVUUNVYBRQRJY-UHFFFAOYSA-N	2	2	392.572	4.943	20	0		GJADLP
Cc1cc(Cl)c(C)c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)[nH+]1	ZINC001164792534	721496599	/nfs/dbraw/zinc/49/65/99/721496599.db2.gz	QHSOOOJDQNAKCI-UHFFFAOYSA-N	2	2	384.955	4.628	20	0		GJADLP
Cc1cc(Cl)c(C)c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)[nH+]1	ZINC001164792534	721496604	/nfs/dbraw/zinc/49/66/04/721496604.db2.gz	QHSOOOJDQNAKCI-UHFFFAOYSA-N	2	2	384.955	4.628	20	0		GJADLP
Cc1cc(Cl)c(C)c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1	ZINC001164842009	720696541	/nfs/dbraw/zinc/69/65/41/720696541.db2.gz	KVFPLHSKCFPHRS-HXUWFJFHSA-N	2	2	399.966	4.612	20	0		GJADLP
Cc1cc(Cl)c(C)c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1	ZINC001164842009	720696547	/nfs/dbraw/zinc/69/65/47/720696547.db2.gz	KVFPLHSKCFPHRS-HXUWFJFHSA-N	2	2	399.966	4.612	20	0		GJADLP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4ccccc4)cc[nH+]3)C[C@H]21	ZINC001165022221	721806556	/nfs/dbraw/zinc/80/65/56/721806556.db2.gz	IIWHHWUDNKNQIR-ICDZXHCJSA-N	2	2	398.554	4.881	20	0		GJADLP
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4ccccc4)cc[nH+]3)C[C@H]21	ZINC001165022221	721806557	/nfs/dbraw/zinc/80/65/57/721806557.db2.gz	IIWHHWUDNKNQIR-ICDZXHCJSA-N	2	2	398.554	4.881	20	0		GJADLP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4ccccc4)cc[nH+]3)C[C@@H]21	ZINC001165022233	721806450	/nfs/dbraw/zinc/80/64/50/721806450.db2.gz	IIWHHWUDNKNQIR-PZUNEJSGSA-N	2	2	398.554	4.881	20	0		GJADLP
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4ccccc4)cc[nH+]3)C[C@@H]21	ZINC001165022233	721806452	/nfs/dbraw/zinc/80/64/52/721806452.db2.gz	IIWHHWUDNKNQIR-PZUNEJSGSA-N	2	2	398.554	4.881	20	0		GJADLP
Cc1nc(C[N@@H+]2CCCC23CCN(c2[nH+]ccc4ccccc42)CC3)cs1	ZINC001164694333	719804435	/nfs/dbraw/zinc/80/44/35/719804435.db2.gz	XDXRNVLIDNGQOG-UHFFFAOYSA-N	2	2	378.545	4.635	20	0		GJADLP
Cc1nc(C[N@H+]2CCCC23CCN(c2[nH+]ccc4ccccc42)CC3)cs1	ZINC001164694333	719804436	/nfs/dbraw/zinc/80/44/36/719804436.db2.gz	XDXRNVLIDNGQOG-UHFFFAOYSA-N	2	2	378.545	4.635	20	0		GJADLP
Cc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]c2ccccc12	ZINC001165025177	721810641	/nfs/dbraw/zinc/81/06/41/721810641.db2.gz	LPYLWBPTFVDJCA-NGYIFUPDSA-N	2	2	386.543	4.675	20	0		GJADLP
Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]c2ccccc12	ZINC001165025177	721810642	/nfs/dbraw/zinc/81/06/42/721810642.db2.gz	LPYLWBPTFVDJCA-NGYIFUPDSA-N	2	2	386.543	4.675	20	0		GJADLP
Clc1ccc(COc2ccc(C[NH2+]CCCn3cc[nH+]c3)cc2)cc1Cl	ZINC000040719406	205068031	/nfs/dbraw/zinc/06/80/31/205068031.db2.gz	JXDIHSBRDWBHNG-UHFFFAOYSA-N	2	2	390.314	4.949	20	0		GJADLP
Cc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]c2ccccc12	ZINC001165025175	721810869	/nfs/dbraw/zinc/81/08/69/721810869.db2.gz	LPYLWBPTFVDJCA-BPUDTRNYSA-N	2	2	386.543	4.675	20	0		GJADLP
Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]c2ccccc12	ZINC001165025175	721810872	/nfs/dbraw/zinc/81/08/72/721810872.db2.gz	LPYLWBPTFVDJCA-BPUDTRNYSA-N	2	2	386.543	4.675	20	0		GJADLP
COc1ccc2c(cc[nH+]c2N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1	ZINC001164993260	722195769	/nfs/dbraw/zinc/19/57/69/722195769.db2.gz	DQADGXBZJZCSFC-XMMPIXPASA-N	2	2	391.490	4.627	20	0		GJADLP
COc1ccc2c(cc[nH+]c2N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1	ZINC001164993260	722195771	/nfs/dbraw/zinc/19/57/71/722195771.db2.gz	DQADGXBZJZCSFC-XMMPIXPASA-N	2	2	391.490	4.627	20	0		GJADLP
Cc1cccc2c(C)cc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)[nH+]c12	ZINC001164954338	722013536	/nfs/dbraw/zinc/01/35/36/722013536.db2.gz	LGPWBDUPZKBVJF-UHFFFAOYSA-N	2	2	386.543	4.739	20	0		GJADLP
Cc1cccc2c(C)cc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)[nH+]c12	ZINC001164954338	722013538	/nfs/dbraw/zinc/01/35/38/722013538.db2.gz	LGPWBDUPZKBVJF-UHFFFAOYSA-N	2	2	386.543	4.739	20	0		GJADLP
Cc1ccc(C[NH+]2CCC3(CCN(c4cc(N)cc(Cl)[nH+]4)CC3)CC2)cc1	ZINC001164759191	721043124	/nfs/dbraw/zinc/04/31/24/721043124.db2.gz	KJKLSTJEIUUTMF-UHFFFAOYSA-N	2	2	384.955	4.508	20	0		GJADLP
COc1ccc2c(cc[nH+]c2N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1	ZINC001164993259	722195638	/nfs/dbraw/zinc/19/56/38/722195638.db2.gz	DQADGXBZJZCSFC-DEOSSOPVSA-N	2	2	391.490	4.627	20	0		GJADLP
COc1ccc2c(cc[nH+]c2N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1	ZINC001164993259	722195640	/nfs/dbraw/zinc/19/56/40/722195640.db2.gz	DQADGXBZJZCSFC-DEOSSOPVSA-N	2	2	391.490	4.627	20	0		GJADLP
Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C)c4ccccc4[nH+]2)CC3)cs1	ZINC001164694332	719807721	/nfs/dbraw/zinc/80/77/21/719807721.db2.gz	VGRHKCFGKHKAQJ-UHFFFAOYSA-N	2	2	392.572	4.943	20	0		GJADLP
Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C)c4ccccc4[nH+]2)CC3)cs1	ZINC001164694332	719807722	/nfs/dbraw/zinc/80/77/22/719807722.db2.gz	VGRHKCFGKHKAQJ-UHFFFAOYSA-N	2	2	392.572	4.943	20	0		GJADLP
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C(C)(C)C)c[nH+]1)CC2	ZINC001164837034	720728038	/nfs/dbraw/zinc/72/80/38/720728038.db2.gz	CXOXFEXJBJBGSW-QFIPXVFZSA-N	2	2	393.575	4.639	20	0		GJADLP
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C(C)(C)C)c[nH+]1)CC2	ZINC001164837034	720728039	/nfs/dbraw/zinc/72/80/39/720728039.db2.gz	CXOXFEXJBJBGSW-QFIPXVFZSA-N	2	2	393.575	4.639	20	0		GJADLP
Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(Cl)c(N)[nH+]4)CC3)CC2)cc1	ZINC001164760636	721046515	/nfs/dbraw/zinc/04/65/15/721046515.db2.gz	YXWXBEUQMUZDAP-UHFFFAOYSA-N	2	2	384.955	4.508	20	0		GJADLP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(C)(C)C)c[nH+]3)C[C@@H]21	ZINC001165025286	721831268	/nfs/dbraw/zinc/83/12/68/721831268.db2.gz	MOGDBMWHSGETQJ-YUXAGFNASA-N	2	2	378.564	4.511	20	0		GJADLP
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(C)(C)C)c[nH+]3)C[C@@H]21	ZINC001165025286	721831269	/nfs/dbraw/zinc/83/12/69/721831269.db2.gz	MOGDBMWHSGETQJ-YUXAGFNASA-N	2	2	378.564	4.511	20	0		GJADLP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4ccccc4)cc[nH+]3)C[C@@H]21	ZINC001165022236	721806700	/nfs/dbraw/zinc/80/67/00/721806700.db2.gz	IIWHHWUDNKNQIR-ZKMPZPQNSA-N	2	2	398.554	4.881	20	0		GJADLP
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4ccccc4)cc[nH+]3)C[C@@H]21	ZINC001165022236	721806701	/nfs/dbraw/zinc/80/67/01/721806701.db2.gz	IIWHHWUDNKNQIR-ZKMPZPQNSA-N	2	2	398.554	4.881	20	0		GJADLP
Cc1nc(C[N@@H+]2CCCC23CCN(c2[nH+]ccc4c(C)cccc42)CC3)cs1	ZINC001164691955	719809284	/nfs/dbraw/zinc/80/92/84/719809284.db2.gz	BOVQHVCKKFLIMU-UHFFFAOYSA-N	2	2	392.572	4.943	20	0		GJADLP
Cc1nc(C[N@H+]2CCCC23CCN(c2[nH+]ccc4c(C)cccc42)CC3)cs1	ZINC001164691955	719809286	/nfs/dbraw/zinc/80/92/86/719809286.db2.gz	BOVQHVCKKFLIMU-UHFFFAOYSA-N	2	2	392.572	4.943	20	0		GJADLP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(C)(C)C)c[nH+]3)C[C@H]21	ZINC001165025283	721831466	/nfs/dbraw/zinc/83/14/66/721831466.db2.gz	MOGDBMWHSGETQJ-VLCRHTCISA-N	2	2	378.564	4.511	20	0		GJADLP
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(C)(C)C)c[nH+]3)C[C@H]21	ZINC001165025283	721831468	/nfs/dbraw/zinc/83/14/68/721831468.db2.gz	MOGDBMWHSGETQJ-VLCRHTCISA-N	2	2	378.564	4.511	20	0		GJADLP
Cc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]c2ccccc12	ZINC001165025173	721810696	/nfs/dbraw/zinc/81/06/96/721810696.db2.gz	LPYLWBPTFVDJCA-APTRMMRNSA-N	2	2	386.543	4.675	20	0		GJADLP
Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]c2ccccc12	ZINC001165025173	721810697	/nfs/dbraw/zinc/81/06/97/721810697.db2.gz	LPYLWBPTFVDJCA-APTRMMRNSA-N	2	2	386.543	4.675	20	0		GJADLP
Cc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]c2ccccc12	ZINC001165025176	721810753	/nfs/dbraw/zinc/81/07/53/721810753.db2.gz	LPYLWBPTFVDJCA-KWOQKUFVSA-N	2	2	386.543	4.675	20	0		GJADLP
Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]c2ccccc12	ZINC001165025176	721810756	/nfs/dbraw/zinc/81/07/56/721810756.db2.gz	LPYLWBPTFVDJCA-KWOQKUFVSA-N	2	2	386.543	4.675	20	0		GJADLP
Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(C(C)(C)C)c[nH+]2)CC3)cs1	ZINC001164701121	719817221	/nfs/dbraw/zinc/81/72/21/719817221.db2.gz	ODCFBTPUYTZMBJ-UHFFFAOYSA-N	2	2	384.593	4.779	20	0		GJADLP
Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(C(C)(C)C)c[nH+]2)CC3)cs1	ZINC001164701121	719817222	/nfs/dbraw/zinc/81/72/22/719817222.db2.gz	ODCFBTPUYTZMBJ-UHFFFAOYSA-N	2	2	384.593	4.779	20	0		GJADLP
Cc1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)[nH+]c2ccccc12	ZINC001164791345	721494478	/nfs/dbraw/zinc/49/44/78/721494478.db2.gz	AZFKXGLKTVNMOD-UHFFFAOYSA-N	2	2	386.543	4.819	20	0		GJADLP
Cc1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)[nH+]c2ccccc12	ZINC001164791345	721494485	/nfs/dbraw/zinc/49/44/85/721494485.db2.gz	AZFKXGLKTVNMOD-UHFFFAOYSA-N	2	2	386.543	4.819	20	0		GJADLP
Cc1cc2ccccc2c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)[nH+]1	ZINC001164911762	721758467	/nfs/dbraw/zinc/75/84/67/721758467.db2.gz	YUAWVYWULGZQJU-UHFFFAOYSA-N	2	2	398.510	4.726	20	0		GJADLP
Cc1cc2ccccc2c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)[nH+]1	ZINC001164911762	721758469	/nfs/dbraw/zinc/75/84/69/721758469.db2.gz	YUAWVYWULGZQJU-UHFFFAOYSA-N	2	2	398.510	4.726	20	0		GJADLP
C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(C(C)(C)C)c[nH+]1)CC2	ZINC001164794972	721503612	/nfs/dbraw/zinc/50/36/12/721503612.db2.gz	GQNQJODVVUTNLF-UHFFFAOYSA-N	2	2	378.564	4.655	20	0		GJADLP
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(C(C)(C)C)c[nH+]1)CC2	ZINC001164794972	721503615	/nfs/dbraw/zinc/50/36/15/721503615.db2.gz	GQNQJODVVUTNLF-UHFFFAOYSA-N	2	2	378.564	4.655	20	0		GJADLP